N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide

C17H20FN3O — CID 19286071

IUPACN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ccn(Cc2ccccc2F)n1)C1CCCCC1
InChIInChI=1S/C17H20FN3O/c18-15-9-5-4-8-14(15)12-21-11-10-16(20-21)19-17(22)13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2,(H,19,20,22)
InChIKeyHMEZLEHFGHEAQU-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.59
Rot. Bonds4

About N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide

N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide (PubChem CID 19286071) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
PubChem CID19286071
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC NameN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ccn(Cc2ccccc2F)n1)C1CCCCC1
InChIInChI=1S/C17H20FN3O/c18-15-9-5-4-8-14(15)12-21-11-10-16(20-21)19-17(22)13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2,(H,19,20,22)
InChIKeyHMEZLEHFGHEAQU-UHFFFAOYSA-N
XLogP3.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 19286658
N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]cyclopentanecarboxamide
CID 49011537
1-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]thiourea
CID 40822907
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19345252
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19407415
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 35273830
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
2,4-dichloro-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 19285994
1-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-methylpropyl)thiourea
CID 19395220
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 19286047
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19285937
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19397366

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide (CID 19286071) is N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide is O=C(Nc1ccn(Cc2ccccc2F)n1)C1CCCCC1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide?
The InChIKey is HMEZLEHFGHEAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-15-9-5-4-8-14(15)12-21-11-10-16(20-21)19-17(22)13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2,(H,19,20,22).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide?
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide has a molecular weight of 301.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 19286071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).