4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide

C13H19N5OS — CID 66116977

IUPAC4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)Cc2scnc2C)c1N
InChIInChI=1S/C13H19N5OS/c1-5-9-11(14)12(18(4)16-9)13(19)17(3)6-10-8(2)15-7-20-10/h7H,5-6,14H2,1-4H3
InChIKeyMPRDLXMRPZJRSI-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.60
Rot. Bonds4

About 4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide

4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide (PubChem CID 66116977) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide
PubChem CID66116977
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)Cc2scnc2C)c1N
InChIInChI=1S/C13H19N5OS/c1-5-9-11(14)12(18(4)16-9)13(19)17(3)6-10-8(2)15-7-20-10/h7H,5-6,14H2,1-4H3
InChIKeyMPRDLXMRPZJRSI-UHFFFAOYSA-N
XLogP1.60
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide (CID 66116977) is 4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)N(C)Cc2scnc2C)c1N.
What is the InChIKey of 4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is MPRDLXMRPZJRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-5-9-11(14)12(18(4)16-9)13(19)17(3)6-10-8(2)15-7-20-10/h7H,5-6,14H2,1-4H3.
What are the key properties of 4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide?
4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 66116977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).