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

C20H25FN4O2 — CID 70729452

IUPAC3-(2-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(CC2CCCO2)CC1)c1cc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C20H25FN4O2/c21-17-6-2-1-5-16(17)18-12-19(24-23-18)20(26)22-14-7-9-25(10-8-14)13-15-4-3-11-27-15/h1-2,5-6,12,14-15H,3-4,7-11,13H2,(H,22,26)(H,23,24)
InChIKeyPMVOUGRITPPQRN-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.59
Rot. Bonds5

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

3-(2-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 70729452) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID70729452
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name3-(2-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(CC2CCCO2)CC1)c1cc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C20H25FN4O2/c21-17-6-2-1-5-16(17)18-12-19(24-23-18)20(26)22-14-7-9-25(10-8-14)13-15-4-3-11-27-15/h1-2,5-6,12,14-15H,3-4,7-11,13H2,(H,22,26)(H,23,24)
InChIKeyPMVOUGRITPPQRN-UHFFFAOYSA-N
XLogP2.59
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide
CID 124906961
4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 146134662
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 99929059
7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide
CID 96575727
3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 167869800
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide
CID 125157089
3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide
CID 97200263
3,5-dichloro-4-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]benzamide
CID 72896765
1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 172660412
5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124855451
N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139000544
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105421

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 70729452) is 3-(2-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide is O=C(NC1CCN(CC2CCCO2)CC1)c1cc(-c2ccccc2F)n[nH]1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is PMVOUGRITPPQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c21-17-6-2-1-5-16(17)18-12-19(24-23-18)20(26)22-14-7-9-25(10-8-14)13-15-4-3-11-27-15/h1-2,5-6,12,14-15H,3-4,7-11,13H2,(H,22,26)(H,23,24).
What are the key properties of 3-(2-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
3-(2-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70729452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).