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

C21H27FN4O — CID 44522213

IUPACN-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(CC2(c3ccccc3F)CCCC2)CC1)c1ccn[nH]1
InChIInChI=1S/C21H27FN4O/c22-18-6-2-1-5-17(18)21(10-3-4-11-21)15-26-13-8-16(9-14-26)24-20(27)19-7-12-23-25-19/h1-2,5-7,12,16H,3-4,8-11,13-15H2,(H,23,25)(H,24,27)
InChIKeyLLAGZMCABMXHPH-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.26
Rot. Bonds5

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

N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 44522213) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID44522213
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC NameN-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(CC2(c3ccccc3F)CCCC2)CC1)c1ccn[nH]1
InChIInChI=1S/C21H27FN4O/c22-18-6-2-1-5-17(18)21(10-3-4-11-21)15-26-13-8-16(9-14-26)24-20(27)19-7-12-23-25-19/h1-2,5-7,12,16H,3-4,8-11,13-15H2,(H,23,25)(H,24,27)
InChIKeyLLAGZMCABMXHPH-UHFFFAOYSA-N
XLogP3.26
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 44522213) is N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide is O=C(NC1CCN(CC2(c3ccccc3F)CCCC2)CC1)c1ccn[nH]1.
What is the InChIKey of N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is LLAGZMCABMXHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c22-18-6-2-1-5-17(18)21(10-3-4-11-21)15-26-13-8-16(9-14-26)24-20(27)19-7-12-23-25-19/h1-2,5-7,12,16H,3-4,8-11,13-15H2,(H,23,25)(H,24,27).
What are the key properties of N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 44522213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).