N,N,12-trimethyl-4-[(3-methylpyrazol-1-yl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide

C16H17N7OS — CID 19334964

IUPACN,N,12-trimethyl-4-[(3-methylpyrazol-1-yl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
SMILESCc1ccn(Cc2nc3c4c(C)c(C(=O)N(C)C)sc4ncn3n2)n1
InChIInChI=1S/C16H17N7OS/c1-9-5-6-22(19-9)7-11-18-14-12-10(2)13(16(24)21(3)4)25-15(12)17-8-23(14)20-11/h5-6,8H,7H2,1-4H3
InChIKeyMDXCHKWUIHQJGM-UHFFFAOYSA-N
MW355.43 g/mol
LogP1.90
Rot. Bonds3

About N,N,12-trimethyl-4-[(3-methylpyrazol-1-yl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide

N,N,12-trimethyl-4-[(3-methylpyrazol-1-yl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide (PubChem CID 19334964) has the molecular formula C16H17N7OS and a molecular weight of 355.43 g/mol. Its IUPAC name is N,N,12-trimethyl-4-[(3-methylpyrazol-1-yl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide.

Molecular Properties

Compound NameN,N,12-trimethyl-4-[(3-methylpyrazol-1-yl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
PubChem CID19334964
Molecular FormulaC16H17N7OS
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC NameN,N,12-trimethyl-4-[(3-methylpyrazol-1-yl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
SMILESCc1ccn(Cc2nc3c4c(C)c(C(=O)N(C)C)sc4ncn3n2)n1
InChIInChI=1S/C16H17N7OS/c1-9-5-6-22(19-9)7-11-18-14-12-10(2)13(16(24)21(3)4)25-15(12)17-8-23(14)20-11/h5-6,8H,7H2,1-4H3
InChIKeyMDXCHKWUIHQJGM-UHFFFAOYSA-N
XLogP1.90
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N,12-trimethyl-4-[(3-methylpyrazol-1-yl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
CID 19334975
4-(1-ethylpyrazol-4-yl)-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
CID 19334963
4-[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
CID 19334953
4-(1,3-dimethyl-4-nitropyrazol-5-yl)-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
CID 19334952
11,12-dimethyl-4-[(4-methylpyrazol-1-yl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19583746
4-(2-bromophenyl)-N,N-diethyl-12-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
CID 19581239
N,N-diethyl-12-methyl-4-(2-methylpyrazol-3-yl)-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
CID 19573340
methyl 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-12-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 19334854
N,N-diethyl-12-methyl-4-(2-nitrophenyl)-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
CID 19580650
4-[1-(3-methoxy-4-nitropyrazol-1-yl)ethyl]-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
CID 19334954
methyl 12-methyl-4-[3-(pyrazol-1-ylmethyl)phenyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 19573602
methyl 12-methyl-4-(1-methylpyrazol-3-yl)-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 19334847

Frequently Asked Questions

What is the IUPAC name of N,N,12-trimethyl-4-[(3-methylpyrazol-1-yl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide?
The IUPAC name of N,N,12-trimethyl-4-[(3-methylpyrazol-1-yl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide (CID 19334964) is N,N,12-trimethyl-4-[(3-methylpyrazol-1-yl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide.
What is the SMILES notation for N,N,12-trimethyl-4-[(3-methylpyrazol-1-yl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide?
The canonical SMILES for N,N,12-trimethyl-4-[(3-methylpyrazol-1-yl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide is Cc1ccn(Cc2nc3c4c(C)c(C(=O)N(C)C)sc4ncn3n2)n1.
What is the InChIKey of N,N,12-trimethyl-4-[(3-methylpyrazol-1-yl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide?
The InChIKey is MDXCHKWUIHQJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7OS/c1-9-5-6-22(19-9)7-11-18-14-12-10(2)13(16(24)21(3)4)25-15(12)17-8-23(14)20-11/h5-6,8H,7H2,1-4H3.
What are the key properties of N,N,12-trimethyl-4-[(3-methylpyrazol-1-yl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide?
N,N,12-trimethyl-4-[(3-methylpyrazol-1-yl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,12-trimethyl-4-[(3-methylpyrazol-1-yl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide is sourced from PubChem (CID 19334964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).