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

C12H14N4OS — CID 95749571

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCc2csc(C3CC3)n2)n1
InChIInChI=1S/C12H14N4OS/c1-16-5-4-10(15-16)11(17)13-6-9-7-18-12(14-9)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,13,17)
InChIKeyDSUMMMBVEZIVSF-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.68
Rot. Bonds4

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

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide (PubChem CID 95749571) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
PubChem CID95749571
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCc2csc(C3CC3)n2)n1
InChIInChI=1S/C12H14N4OS/c1-16-5-4-10(15-16)11(17)13-6-9-7-18-12(14-9)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,13,17)
InChIKeyDSUMMMBVEZIVSF-UHFFFAOYSA-N
XLogP1.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide
CID 75358505
3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324619
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 91938268
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-ethoxy-1H-pyrazole-5-carboxamide
CID 95749654
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-methyl-2-(1,2,4-triazol-4-yl)benzamide
CID 146091331
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 95749634
2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324628
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95324636
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 95324683
1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide
CID 146126965
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 95749522

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide (CID 95749571) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NCc2csc(C3CC3)n2)n1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is DSUMMMBVEZIVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-16-5-4-10(15-16)11(17)13-6-9-7-18-12(14-9)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,13,17).
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 95749571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).