(3S)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-methylpentanamide

C20H26FN3O — CID 172633624

IUPAC(3S)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-methylpentanamide
SMILESCC[C@H](C)CC(=O)Nc1nn(C)c(-c2ccc(F)cc2)c1C1CCC1
InChIInChI=1S/C20H26FN3O/c1-4-13(2)12-17(25)22-20-18(14-6-5-7-14)19(24(3)23-20)15-8-10-16(21)11-9-15/h8-11,13-14H,4-7,12H2,1-3H3,(H,22,23,25)/t13-/m0/s1
InChIKeyIFECYXAMJCGZPJ-ZDUSSCGKSA-N
MW343.45 g/mol
LogP4.87
Rot. Bonds6

About (3S)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-methylpentanamide

(3S)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-methylpentanamide (PubChem CID 172633624) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is (3S)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-methylpentanamide.

Molecular Properties

Compound Name(3S)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-methylpentanamide
PubChem CID172633624
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name(3S)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-methylpentanamide
SMILESCC[C@H](C)CC(=O)Nc1nn(C)c(-c2ccc(F)cc2)c1C1CCC1
InChIInChI=1S/C20H26FN3O/c1-4-13(2)12-17(25)22-20-18(14-6-5-7-14)19(24(3)23-20)15-8-10-16(21)11-9-15/h8-11,13-14H,4-7,12H2,1-3H3,(H,22,23,25)/t13-/m0/s1
InChIKeyIFECYXAMJCGZPJ-ZDUSSCGKSA-N
XLogP4.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-methylpentanamide?
The IUPAC name of (3S)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-methylpentanamide (CID 172633624) is (3S)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-methylpentanamide.
What is the SMILES notation for (3S)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-methylpentanamide?
The canonical SMILES for (3S)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-methylpentanamide is CC[C@H](C)CC(=O)Nc1nn(C)c(-c2ccc(F)cc2)c1C1CCC1.
What is the InChIKey of (3S)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-methylpentanamide?
The InChIKey is IFECYXAMJCGZPJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-4-13(2)12-17(25)22-20-18(14-6-5-7-14)19(24(3)23-20)15-8-10-16(21)11-9-15/h8-11,13-14H,4-7,12H2,1-3H3,(H,22,23,25)/t13-/m0/s1.
What are the key properties of (3S)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-methylpentanamide?
(3S)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-methylpentanamide has a molecular weight of 343.45 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-methylpentanamide is sourced from PubChem (CID 172633624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).