1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide

C16H25N3O3S — CID 97101008

IUPAC1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide
SMILESCC[C@@H](C)n1ncc(C(=O)NS(=O)(=O)CC2CCC2)c1C1CC1
InChIInChI=1S/C16H25N3O3S/c1-3-11(2)19-15(13-7-8-13)14(9-17-19)16(20)18-23(21,22)10-12-5-4-6-12/h9,11-13H,3-8,10H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyVDVDZGBEYJDKBK-LLVKDONJSA-N
MW339.46 g/mol
LogP2.59
Rot. Bonds7

About 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide

1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide (PubChem CID 97101008) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide
PubChem CID97101008
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide
SMILESCC[C@@H](C)n1ncc(C(=O)NS(=O)(=O)CC2CCC2)c1C1CC1
InChIInChI=1S/C16H25N3O3S/c1-3-11(2)19-15(13-7-8-13)14(9-17-19)16(20)18-23(21,22)10-12-5-4-6-12/h9,11-13H,3-8,10H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyVDVDZGBEYJDKBK-LLVKDONJSA-N
XLogP2.59
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-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

4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524544
2-[[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 120528568
1-butan-2-yl-5-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
CID 75517931
1-[(2R)-butan-2-yl]-5-cyclopropyl-N-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide
CID 99791217
N-(cyclopentylmethylsulfonyl)-1-methyl-5-phenylpyrazole-4-carboxamide
CID 84598693
1-(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117110
N-(cyclobutylmethylsulfonyl)-4-cyclopropyl-1,3-thiazole-5-carboxamide
CID 84592421
[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97082037
(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone
CID 119042970
1-[(2S)-butan-2-yl]-5-cyclopropyl-N-(3-imidazol-1-ylphenyl)pyrazole-4-carboxamide
CID 124568585
2-[4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]-2-chlorophenoxy]acetic acid
CID 120531954
1-butan-2-yl-5-cyclopropyl-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide
CID 75434171

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide?
The IUPAC name of 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide (CID 97101008) is 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide?
The canonical SMILES for 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide is CC[C@@H](C)n1ncc(C(=O)NS(=O)(=O)CC2CCC2)c1C1CC1.
What is the InChIKey of 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide?
The InChIKey is VDVDZGBEYJDKBK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-11(2)19-15(13-7-8-13)14(9-17-19)16(20)18-23(21,22)10-12-5-4-6-12/h9,11-13H,3-8,10H2,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide?
1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide is sourced from PubChem (CID 97101008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).