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

C12H16N4OS — CID 110467157

IUPAC2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
SMILESCc1csc(CCCNC(=O)c2ccnn2C)n1
InChIInChI=1S/C12H16N4OS/c1-9-8-18-11(15-9)4-3-6-13-12(17)10-5-7-14-16(10)2/h5,7-8H,3-4,6H2,1-2H3,(H,13,17)
InChIKeyXSQIQJNCISXSPL-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.55
Rot. Bonds5

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

2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide (PubChem CID 110467157) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
PubChem CID110467157
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
SMILESCc1csc(CCCNC(=O)c2ccnn2C)n1
InChIInChI=1S/C12H16N4OS/c1-9-8-18-11(15-9)4-3-6-13-12(17)10-5-7-14-16(10)2/h5,7-8H,3-4,6H2,1-2H3,(H,13,17)
InChIKeyXSQIQJNCISXSPL-UHFFFAOYSA-N
XLogP1.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 136522684
3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 118762993
N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide
CID 17167946
2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971
2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379887
4-(aminomethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 82546122
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70770649
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
4-(hydroxymethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
CID 118796056
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 110462196
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide
CID 171145739
2-(furan-2-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110484644

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide (CID 110467157) is 2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide is Cc1csc(CCCNC(=O)c2ccnn2C)n1.
What is the InChIKey of 2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide?
The InChIKey is XSQIQJNCISXSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-9-8-18-11(15-9)4-3-6-13-12(17)10-5-7-14-16(10)2/h5,7-8H,3-4,6H2,1-2H3,(H,13,17).
What are the key properties of 2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide?
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110467157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).