(2S)-N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide

C19H25F4N3O — CID 169169644

IUPAC(2S)-N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide
SMILESCc1c(C2CC(F)(F)C2)nn(C2CCC2)c1NC(=O)[C@@H](C)C1CC(F)(F)C1
InChIInChI=1S/C19H25F4N3O/c1-10(12-6-18(20,21)7-12)17(27)24-16-11(2)15(13-8-19(22,23)9-13)25-26(16)14-4-3-5-14/h10,12-14H,3-9H2,1-2H3,(H,24,27)/t10-/m0/s1
InChIKeyBSIGWIIAFJEOPQ-JTQLQIEISA-N
MW387.42 g/mol
LogP5.05
Rot. Bonds5

About (2S)-N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide

(2S)-N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide (PubChem CID 169169644) has the molecular formula C19H25F4N3O and a molecular weight of 387.42 g/mol. Its IUPAC name is (2S)-N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide
PubChem CID169169644
Molecular FormulaC19H25F4N3O
Molecular Weight387.42 g/mol
Exact Mass387.19
IUPAC Name(2S)-N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide
SMILESCc1c(C2CC(F)(F)C2)nn(C2CCC2)c1NC(=O)[C@@H](C)C1CC(F)(F)C1
InChIInChI=1S/C19H25F4N3O/c1-10(12-6-18(20,21)7-12)17(27)24-16-11(2)15(13-8-19(22,23)9-13)25-26(16)14-4-3-5-14/h10,12-14H,3-9H2,1-2H3,(H,24,27)/t10-/m0/s1
InChIKeyBSIGWIIAFJEOPQ-JTQLQIEISA-N
XLogP5.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-cyclohexyl-N-(3,4-diethyl-1-methyl-1H-pyrazol-5-yl)acetamide hydrochloride
CID 132418130
N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-(trifluoromethyl)octanamide
CID 169169255
N-[4-cyclobutyl-5-(3,3-dimethoxycyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 169169264
(1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 169169265
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
CID 169169267
3-cyclobutyl-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
CID 169169271
N-[1-butan-2-yl-3-(3,3-difluoro-1-methylcyclohexyl)-4-methylpyrazol-5-yl]-2-(1-methylcyclopropyl)acetamide;ethane
CID 169169275
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 169169281
N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 169169288
(1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 169169291
2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate
CID 169169293
N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide
CID 169169294

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide?
The IUPAC name of (2S)-N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide (CID 169169644) is (2S)-N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide.
What is the SMILES notation for (2S)-N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide?
The canonical SMILES for (2S)-N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide is Cc1c(C2CC(F)(F)C2)nn(C2CCC2)c1NC(=O)[C@@H](C)C1CC(F)(F)C1.
What is the InChIKey of (2S)-N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide?
The InChIKey is BSIGWIIAFJEOPQ-JTQLQIEISA-N. The full InChI is InChI=1S/C19H25F4N3O/c1-10(12-6-18(20,21)7-12)17(27)24-16-11(2)15(13-8-19(22,23)9-13)25-26(16)14-4-3-5-14/h10,12-14H,3-9H2,1-2H3,(H,24,27)/t10-/m0/s1.
What are the key properties of (2S)-N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide?
(2S)-N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide has a molecular weight of 387.42 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide is sourced from PubChem (CID 169169644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).