N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-[(2S)-2-methylpiperidin-1-yl]butanamide

C19H25FN4O — CID 59173774

IUPACN-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-[(2S)-2-methylpiperidin-1-yl]butanamide
SMILESC[C@H]1CCCCN1CCCC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1
InChIInChI=1S/C19H25FN4O/c1-14-6-2-3-10-24(14)11-5-9-19(25)21-18-13-17(22-23-18)15-7-4-8-16(20)12-15/h4,7-8,12-14H,2-3,5-6,9-11H2,1H3,(H2,21,22,23,25)/t14-/m0/s1
InChIKeyOYPNQTNDLSZKKN-AWEZNQCLSA-N
MW344.43 g/mol
LogP3.81
Rot. Bonds6

About N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-[(2S)-2-methylpiperidin-1-yl]butanamide

N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-[(2S)-2-methylpiperidin-1-yl]butanamide (PubChem CID 59173774) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-[(2S)-2-methylpiperidin-1-yl]butanamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-[(2S)-2-methylpiperidin-1-yl]butanamide
PubChem CID59173774
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC NameN-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-[(2S)-2-methylpiperidin-1-yl]butanamide
SMILESC[C@H]1CCCCN1CCCC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1
InChIInChI=1S/C19H25FN4O/c1-14-6-2-3-10-24(14)11-5-9-19(25)21-18-13-17(22-23-18)15-7-4-8-16(20)12-15/h4,7-8,12-14H,2-3,5-6,9-11H2,1H3,(H2,21,22,23,25)/t14-/m0/s1
InChIKeyOYPNQTNDLSZKKN-AWEZNQCLSA-N
XLogP3.81
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]-1-ethylpiperidine-4-carboxamide
CID 6539563
N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide
CID 6539564
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide
CID 5330942
(2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330943
Pha-533533
CID 5330949
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 5330950
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide
CID 5330952
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide
CID 5330953
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide
CID 5330969
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330998
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-fluorophenyl)phenyl]acetamide
CID 5331004
N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}butanamide
CID 6539527

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-[(2S)-2-methylpiperidin-1-yl]butanamide?
The IUPAC name of N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-[(2S)-2-methylpiperidin-1-yl]butanamide (CID 59173774) is N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-[(2S)-2-methylpiperidin-1-yl]butanamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-[(2S)-2-methylpiperidin-1-yl]butanamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-[(2S)-2-methylpiperidin-1-yl]butanamide is C[C@H]1CCCCN1CCCC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1.
What is the InChIKey of N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-[(2S)-2-methylpiperidin-1-yl]butanamide?
The InChIKey is OYPNQTNDLSZKKN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-14-6-2-3-10-24(14)11-5-9-19(25)21-18-13-17(22-23-18)15-7-4-8-16(20)12-15/h4,7-8,12-14H,2-3,5-6,9-11H2,1H3,(H2,21,22,23,25)/t14-/m0/s1.
What are the key properties of N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-[(2S)-2-methylpiperidin-1-yl]butanamide?
N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-[(2S)-2-methylpiperidin-1-yl]butanamide has a molecular weight of 344.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-[(2S)-2-methylpiperidin-1-yl]butanamide is sourced from PubChem (CID 59173774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).