N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide

C23H23N5O — CID 19281272

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCCn1cc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(C)n1
InChIInChI=1S/C23H23N5O/c1-3-27-15-19(17(2)25-27)14-24-23(29)21-16-28(20-12-8-5-9-13-20)26-22(21)18-10-6-4-7-11-18/h4-13,15-16H,3,14H2,1-2H3,(H,24,29)
InChIKeyGKBASGCUSZEVCE-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.99
Rot. Bonds6

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 19281272) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID19281272
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCCn1cc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(C)n1
InChIInChI=1S/C23H23N5O/c1-3-27-15-19(17(2)25-27)14-24-23(29)21-16-28(20-12-8-5-9-13-20)26-22(21)18-10-6-4-7-11-18/h4-13,15-16H,3,14H2,1-2H3,(H,24,29)
InChIKeyGKBASGCUSZEVCE-UHFFFAOYSA-N
XLogP3.99
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473366
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 87043447
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
CID 19281007
N-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281316
N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 75450088
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518597
N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 38533366
N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1356321
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323
1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide
CID 2431760

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide (CID 19281272) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide is CCn1cc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is GKBASGCUSZEVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-3-27-15-19(17(2)25-27)14-24-23(29)21-16-28(20-12-8-5-9-13-20)26-22(21)18-10-6-4-7-11-18/h4-13,15-16H,3,14H2,1-2H3,(H,24,29).
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 19281272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).