N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide

C20H26FN3O — CID 118552874

IUPACN-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CCC2CCCCC2)Cc2ccccc2F)n[nH]1
InChIInChI=1S/C20H26FN3O/c1-15-13-19(23-22-15)20(25)24(12-11-16-7-3-2-4-8-16)14-17-9-5-6-10-18(17)21/h5-6,9-10,13,16H,2-4,7-8,11-12,14H2,1H3,(H,22,23)
InChIKeyBDNHIHJGUGRVKD-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.47
Rot. Bonds6

About N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide

N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 118552874) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID118552874
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC NameN-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CCC2CCCCC2)Cc2ccccc2F)n[nH]1
InChIInChI=1S/C20H26FN3O/c1-15-13-19(23-22-15)20(25)24(12-11-16-7-3-2-4-8-16)14-17-9-5-6-10-18(17)21/h5-6,9-10,13,16H,2-4,7-8,11-12,14H2,1H3,(H,22,23)
InChIKeyBDNHIHJGUGRVKD-UHFFFAOYSA-N
XLogP4.47
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 118552874) is N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N(CCC2CCCCC2)Cc2ccccc2F)n[nH]1.
What is the InChIKey of N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is BDNHIHJGUGRVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-15-13-19(23-22-15)20(25)24(12-11-16-7-3-2-4-8-16)14-17-9-5-6-10-18(17)21/h5-6,9-10,13,16H,2-4,7-8,11-12,14H2,1H3,(H,22,23).
What are the key properties of N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide?
N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118552874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).