N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide

C22H21N5O — CID 19279614

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)nn1C
InChIInChI=1S/C22H21N5O/c1-16-13-20(24-26(16)2)22(28)23-14-18-15-27(19-11-7-4-8-12-19)25-21(18)17-9-5-3-6-10-17/h3-13,15H,14H2,1-2H3,(H,23,28)
InChIKeyAJOREWHKODTOLU-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.51
Rot. Bonds5

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 19279614) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID19279614
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)nn1C
InChIInChI=1S/C22H21N5O/c1-16-13-20(24-26(16)2)22(28)23-14-18-15-27(19-11-7-4-8-12-19)25-21(18)17-9-5-3-6-10-17/h3-13,15H,14H2,1-2H3,(H,23,28)
InChIKeyAJOREWHKODTOLU-UHFFFAOYSA-N
XLogP3.51
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 19262748
3-[3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19506517
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
4,5-dibromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 19288857
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
CID 19281007
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19264842
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(1,3-diphenylpyrazol-4-yl)methyl]urea
CID 78832409
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 18228691
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide
CID 24548704
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
CID 19288805
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35762734

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide (CID 19279614) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)nn1C.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is AJOREWHKODTOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-16-13-20(24-26(16)2)22(28)23-14-18-15-27(19-11-7-4-8-12-19)25-21(18)17-9-5-3-6-10-17/h3-13,15H,14H2,1-2H3,(H,23,28).
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19279614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).