N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide

C23H29FN4O2 — CID 110268965

IUPACN-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1cc(C2CCCCN2C(=O)CCc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C23H29FN4O2/c24-17-11-8-16(9-12-17)10-13-22(29)28-14-4-3-7-21(28)19-15-20(27-26-19)23(30)25-18-5-1-2-6-18/h8-9,11-12,15,18,21H,1-7,10,13-14H2,(H,25,30)(H,26,27)
InChIKeyQLRZJUPLFSHAHV-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.91
Rot. Bonds6

About N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide

N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 110268965) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
PubChem CID110268965
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC NameN-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1cc(C2CCCCN2C(=O)CCc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C23H29FN4O2/c24-17-11-8-16(9-12-17)10-13-22(29)28-14-4-3-7-21(28)19-15-20(27-26-19)23(30)25-18-5-1-2-6-18/h8-9,11-12,15,18,21H,1-7,10,13-14H2,(H,25,30)(H,26,27)
InChIKeyQLRZJUPLFSHAHV-UHFFFAOYSA-N
XLogP3.91
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 110268966
N-cyclopentyl-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268950
N-cyclopentyl-5-[(2S)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 124978722
N-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 95840522
N-cyclohexyl-4-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 92640451
5-(1-benzylpiperidin-2-yl)-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 110268851
1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110268929
1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95840546
N-cyclopentyl-5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268878
3-(4-fluorophenyl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 125022280
2-(4-fluorophenoxy)-1-[(2R)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 95840607
N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
CID 166252601

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide (CID 110268965) is N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide is O=C(NC1CCCC1)c1cc(C2CCCCN2C(=O)CCc2ccc(F)cc2)[nH]n1.
What is the InChIKey of N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is QLRZJUPLFSHAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O2/c24-17-11-8-16(9-12-17)10-13-22(29)28-14-4-3-7-21(28)19-15-20(27-26-19)23(30)25-18-5-1-2-6-18/h8-9,11-12,15,18,21H,1-7,10,13-14H2,(H,25,30)(H,26,27).
What are the key properties of N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide?
N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110268965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).