1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide

C15H22N4OS — CID 70707512

IUPAC1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCc1ncsc1CCCNC(=O)c1cc(C(C)C)nn1C
InChIInChI=1S/C15H22N4OS/c1-10(2)12-8-13(19(4)18-12)15(20)16-7-5-6-14-11(3)17-9-21-14/h8-10H,5-7H2,1-4H3,(H,16,20)
InChIKeyHEYVPKQXYIGYRD-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.67
Rot. Bonds6

About 1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide

1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 70707512) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID70707512
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCc1ncsc1CCCNC(=O)c1cc(C(C)C)nn1C
InChIInChI=1S/C15H22N4OS/c1-10(2)12-8-13(19(4)18-12)15(20)16-7-5-6-14-11(3)17-9-21-14/h8-10H,5-7H2,1-4H3,(H,16,20)
InChIKeyHEYVPKQXYIGYRD-UHFFFAOYSA-N
XLogP2.67
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111560633
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide
CID 118766874
1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 50970727
2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
CID 90650982
4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide
CID 122560927
1-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 70761922
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 90653038
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea
CID 110747837
methyl 1-methyl-3-propan-2-ylpyrazole-5-carboxylate
CID 25248219
3-(4-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-5-carboxamide
CID 70773903
1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide
CID 28666996
(3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95876902

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 70707512) is 1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide is Cc1ncsc1CCCNC(=O)c1cc(C(C)C)nn1C.
What is the InChIKey of 1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is HEYVPKQXYIGYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-10(2)12-8-13(19(4)18-12)15(20)16-7-5-6-14-11(3)17-9-21-14/h8-10H,5-7H2,1-4H3,(H,16,20).
What are the key properties of 1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide?
1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 70707512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).