N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide

C20H22N4O — CID 42282105

IUPACN-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H22N4O/c1-23(2)14-13-21-20(25)18-15-24(17-11-7-4-8-12-17)22-19(18)16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3,(H,21,25)
InChIKeyGZNUWOQQWVXXLD-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.83
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide

N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 42282105) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID42282105
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H22N4O/c1-23(2)14-13-21-20(25)18-15-24(17-11-7-4-8-12-17)22-19(18)16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3,(H,21,25)
InChIKeyGZNUWOQQWVXXLD-UHFFFAOYSA-N
XLogP2.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide
CID 24650106
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 45285661
N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 18205042
N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2333924
N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 34299490
N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 60606127
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 18204409
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 2475115
N-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281316
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 9227685

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide (CID 42282105) is N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide is CN(C)CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is GZNUWOQQWVXXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23(2)14-13-21-20(25)18-15-24(17-11-7-4-8-12-17)22-19(18)16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 42282105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).