N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide

C25H29FN4O — CID 141348526

IUPACN-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCN(C)C(c1cccc(F)c1)C1CCC(NC(=O)c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C25H29FN4O/c1-30(2)24(19-9-6-10-20(26)15-19)18-11-13-21(14-12-18)27-25(31)23-16-22(28-29-23)17-7-4-3-5-8-17/h3-10,15-16,18,21,24H,11-14H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyQRAFNCDGTMBXSW-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.81
Rot. Bonds6

About N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 141348526) has the molecular formula C25H29FN4O and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID141348526
Molecular FormulaC25H29FN4O
Molecular Weight420.53 g/mol
Exact Mass420.23
IUPAC NameN-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCN(C)C(c1cccc(F)c1)C1CCC(NC(=O)c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C25H29FN4O/c1-30(2)24(19-9-6-10-20(26)15-19)18-11-13-21(14-12-18)27-25(31)23-16-22(28-29-23)17-7-4-3-5-8-17/h3-10,15-16,18,21,24H,11-14H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyQRAFNCDGTMBXSW-UHFFFAOYSA-N
XLogP4.81
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 141348526) is N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide is CN(C)C(c1cccc(F)c1)C1CCC(NC(=O)c2cc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is QRAFNCDGTMBXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O/c1-30(2)24(19-9-6-10-20(26)15-19)18-11-13-21(14-12-18)27-25(31)23-16-22(28-29-23)17-7-4-3-5-8-17/h3-10,15-16,18,21,24H,11-14H2,1-2H3,(H,27,31)(H,28,29).
What are the key properties of N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 420.53 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 141348526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).