3-fluoro-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]benzamide

C22H23FN4O — CID 98135026

IUPAC3-fluoro-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1CCC(c2[nH]ncc2-c2ccncc2)CC1)c1cccc(F)c1
InChIInChI=1S/C22H23FN4O/c23-19-3-1-2-18(12-19)22(28)25-13-15-4-6-17(7-5-15)21-20(14-26-27-21)16-8-10-24-11-9-16/h1-3,8-12,14-15,17H,4-7,13H2,(H,25,28)(H,26,27)
InChIKeyJPCZTDNYDPGAQP-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.31
Rot. Bonds5

About 3-fluoro-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]benzamide

3-fluoro-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]benzamide (PubChem CID 98135026) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-fluoro-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]benzamide
PubChem CID98135026
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name3-fluoro-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1CCC(c2[nH]ncc2-c2ccncc2)CC1)c1cccc(F)c1
InChIInChI=1S/C22H23FN4O/c23-19-3-1-2-18(12-19)22(28)25-13-15-4-6-17(7-5-15)21-20(14-26-27-21)16-8-10-24-11-9-16/h1-3,8-12,14-15,17H,4-7,13H2,(H,25,28)(H,26,27)
InChIKeyJPCZTDNYDPGAQP-UHFFFAOYSA-N
XLogP4.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]acetamide
CID 98134976
1-methyl-6-oxo-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]pyridazine-3-carboxamide
CID 98135028
(3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 92568441
3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005334
3-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63007971
1,3-dimethyl-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]cyclohexyl]methyl]-2,6-dioxopyrimidine-4-carboxamide
CID 98132851
3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
CID 72944200
3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide
CID 134423135
4-fluoro-N-[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide
CID 98065178
3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110414263
1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70706767
N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-6-carboxamide
CID 106121573

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]benzamide (CID 98135026) is 3-fluoro-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]benzamide is O=C(NCC1CCC(c2[nH]ncc2-c2ccncc2)CC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]benzamide?
The InChIKey is JPCZTDNYDPGAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-19-3-1-2-18(12-19)22(28)25-13-15-4-6-17(7-5-15)21-20(14-26-27-21)16-8-10-24-11-9-16/h1-3,8-12,14-15,17H,4-7,13H2,(H,25,28)(H,26,27).
What are the key properties of 3-fluoro-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]benzamide?
3-fluoro-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 98135026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).