N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide

C16H22N4OS — CID 100690917

IUPACN-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC[C@@H](c1ccsc1)N1CCC1
InChIInChI=1S/C16H22N4OS/c1-11-15(12(2)19(3)18-11)16(21)17-9-14(20-6-4-7-20)13-5-8-22-10-13/h5,8,10,14H,4,6-7,9H2,1-3H3,(H,17,21)/t14-/m0/s1
InChIKeyNWVWLBPXKZPSQX-AWEZNQCLSA-N
MW318.45 g/mol
LogP2.28
Rot. Bonds5

About N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide

N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 100690917) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID100690917
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC[C@@H](c1ccsc1)N1CCC1
InChIInChI=1S/C16H22N4OS/c1-11-15(12(2)19(3)18-11)16(21)17-9-14(20-6-4-7-20)13-5-8-22-10-13/h5,8,10,14H,4,6-7,9H2,1-3H3,(H,17,21)/t14-/m0/s1
InChIKeyNWVWLBPXKZPSQX-AWEZNQCLSA-N
XLogP2.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 131701979
2,6-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931257
3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847568
2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931597
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931885
N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 40847538
N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931322
N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91813432
3,4-dichloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847530
3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847528
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-chlorobenzamide
CID 16931789
1-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-3-(2-methylphenyl)urea
CID 100691485

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide (CID 100690917) is N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NC[C@@H](c1ccsc1)N1CCC1.
What is the InChIKey of N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is NWVWLBPXKZPSQX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-11-15(12(2)19(3)18-11)16(21)17-9-14(20-6-4-7-20)13-5-8-22-10-13/h5,8,10,14H,4,6-7,9H2,1-3H3,(H,17,21)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide?
N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 100690917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).