3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide

C13H16N4OS — CID 131904718

IUPAC3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2c(C3CC3)n[nH]c2C)cs1
InChIInChI=1S/C13H16N4OS/c1-7-11(12(17-16-7)9-3-4-9)13(18)14-5-10-6-19-8(2)15-10/h6,9H,3-5H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyJFAKPPOKIIYSBA-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.29
Rot. Bonds4

About 3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide

3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 131904718) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID131904718
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2c(C3CC3)n[nH]c2C)cs1
InChIInChI=1S/C13H16N4OS/c1-7-11(12(17-16-7)9-3-4-9)13(18)14-5-10-6-19-8(2)15-10/h6,9H,3-5H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyJFAKPPOKIIYSBA-UHFFFAOYSA-N
XLogP2.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-Cyclopropyl-1H-pyrazol-3-YL)methyl]-2-isopropyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 50974003
(5-ethyl-1H-pyrazol-4-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 56778670
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72135950
[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 72145425
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145439
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-{2-[(methylthio)methyl]-1,3-thiazol-4-yl}ethyl)acetamide
CID 72848138
2-Amino-2-(3,5-dimethyl-1H-pyrazol-4-YL)-N-[2-(2-isopropyl-1,3-thiazol-4-YL)ethyl]acetamide
CID 72866373
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 75358483
N,N-dimethyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 110257832
5-[(cyclopropylmethylamino)methyl]-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 177700551
5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 47290731
N-[(5-Cyclopropyl-1H-pyrazol-3-YL)methyl]-2-ethyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 50973346

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide (CID 131904718) is 3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide is Cc1nc(CNC(=O)c2c(C3CC3)n[nH]c2C)cs1.
What is the InChIKey of 3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is JFAKPPOKIIYSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-7-11(12(17-16-7)9-3-4-9)13(18)14-5-10-6-19-8(2)15-10/h6,9H,3-5H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide?
3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 131904718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).