N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide

C16H27N3O — CID 164634432

IUPACN-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide
SMILESCC[C@H](C)n1ncc(NC(=O)C(C)(C)C2CCC2)c1C
InChIInChI=1S/C16H27N3O/c1-6-11(2)19-12(3)14(10-17-19)18-15(20)16(4,5)13-8-7-9-13/h10-11,13H,6-9H2,1-5H3,(H,18,20)/t11-/m0/s1
InChIKeyYHYYWYYWWKKSGB-NSHDSACASA-N
MW277.41 g/mol
LogP3.93
Rot. Bonds5

About N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide

N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide (PubChem CID 164634432) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide
PubChem CID164634432
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide
SMILESCC[C@H](C)n1ncc(NC(=O)C(C)(C)C2CCC2)c1C
InChIInChI=1S/C16H27N3O/c1-6-11(2)19-12(3)14(10-17-19)18-15(20)16(4,5)13-8-7-9-13/h10-11,13H,6-9H2,1-5H3,(H,18,20)/t11-/m0/s1
InChIKeyYHYYWYYWWKKSGB-NSHDSACASA-N
XLogP3.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide 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

2-(1-adamantyl)-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide
CID 4671711
N-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide
CID 35520991
N-[(2-ethylpyrazol-3-yl)methyl]cyclopentanecarboxamide
CID 35520996
N-[4-[[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]amino]cyclohexyl]acetamide
CID 86802036
1-amino-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 132308714
3-hydroxy-3-methyl-N-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]cyclobutane-1-carboxamide
CID 137992001
(1S)-2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 164639973
(2S)-2-amino-3-cyclopentyl-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide
CID 177043347
(2S)-2-amino-3-cyclopentyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide
CID 177043450
N-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 102805804
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]acetamide
CID 109904544
2-amino-2-cyclobutyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)acetamide;2,2,2-trifluoroacetic acid
CID 132387079

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide?
The IUPAC name of N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide (CID 164634432) is N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide.
What is the SMILES notation for N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide?
The canonical SMILES for N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide is CC[C@H](C)n1ncc(NC(=O)C(C)(C)C2CCC2)c1C.
What is the InChIKey of N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide?
The InChIKey is YHYYWYYWWKKSGB-NSHDSACASA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-11(2)19-12(3)14(10-17-19)18-15(20)16(4,5)13-8-7-9-13/h10-11,13H,6-9H2,1-5H3,(H,18,20)/t11-/m0/s1.
What are the key properties of N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide?
N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide is sourced from PubChem (CID 164634432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).