N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,1-dimethyl-3-(2-methylpropyl)pyrazole-5-carboxamide

C22H31FN4O — CID 24816925

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,1-dimethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)n(C)n1
InChIInChI=1S/C22H31FN4O/c1-16(2)12-18-13-21(26(4)24-18)22(28)25(3)19-9-7-11-27(15-19)14-17-8-5-6-10-20(17)23/h5-6,8,10,13,16,19H,7,9,11-12,14-15H2,1-4H3
InChIKeyLEQCBUILKJSGLU-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.49
Rot. Bonds6

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,1-dimethyl-3-(2-methylpropyl)pyrazole-5-carboxamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,1-dimethyl-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 24816925) has the molecular formula C22H31FN4O and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,1-dimethyl-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,1-dimethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID24816925
Molecular FormulaC22H31FN4O
Molecular Weight386.52 g/mol
Exact Mass386.25
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,1-dimethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)n(C)n1
InChIInChI=1S/C22H31FN4O/c1-16(2)12-18-13-21(26(4)24-18)22(28)25(3)19-9-7-11-27(15-19)14-17-8-5-6-10-20(17)23/h5-6,8,10,13,16,19H,7,9,11-12,14-15H2,1-4H3
InChIKeyLEQCBUILKJSGLU-UHFFFAOYSA-N
XLogP3.49
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,1-dimethyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,1-dimethyl-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 24816925) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,1-dimethyl-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,1-dimethyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,1-dimethyl-3-(2-methylpropyl)pyrazole-5-carboxamide is CC(C)Cc1cc(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)n(C)n1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,1-dimethyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is LEQCBUILKJSGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O/c1-16(2)12-18-13-21(26(4)24-18)22(28)25(3)19-9-7-11-27(15-19)14-17-8-5-6-10-20(17)23/h5-6,8,10,13,16,19H,7,9,11-12,14-15H2,1-4H3.
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,1-dimethyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,1-dimethyl-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,1-dimethyl-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 24816925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).