N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide

C19H19N3O — CID 87023695

IUPACN-benzhydryl-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(c2ccccc2)c2ccccc2)n(C)n1
InChIInChI=1S/C19H19N3O/c1-14-13-17(22(2)21-14)19(23)20-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,18H,1-2H3,(H,20,23)
InChIKeyTVTGFVAYZAZCMV-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.25
Rot. Bonds4

About N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide

N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 87023695) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-2,5-dimethylpyrazole-3-carboxamide
PubChem CID87023695
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-benzhydryl-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(c2ccccc2)c2ccccc2)n(C)n1
InChIInChI=1S/C19H19N3O/c1-14-13-17(22(2)21-14)19(23)20-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,18H,1-2H3,(H,20,23)
InChIKeyTVTGFVAYZAZCMV-UHFFFAOYSA-N
XLogP3.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 107861204
cis-methyl (1R,2S)-2-[(R)-[(2,5-dimethylpyrazole-3-carbonyl)amino]-phenylmethyl]cyclopropane-1-carboxylate
CID 21014181
(3R)-3-(2-chlorophenyl)-3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid
CID 97215063
N-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 114300362
(2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964855
(2S)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 66126250
2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19481371
N-benzhydryl-2,4,5-trimethylbenzamide
CID 100710488
N-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide
CID 87024266
N-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754685
(2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823484
(2,5-dimethylpyrazol-3-yl)-phenylmethanol
CID 105076375

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide (CID 87023695) is N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(c2ccccc2)c2ccccc2)n(C)n1.
What is the InChIKey of N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is TVTGFVAYZAZCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-13-17(22(2)21-14)19(23)20-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,18H,1-2H3,(H,20,23).
What are the key properties of N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide?
N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 87023695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).