N-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide

C16H14N6O — CID 19281155

IUPACN-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1
InChIInChI=1S/C16H14N6O/c1-2-21-11-13(10-18-21)16(23)20-15-12(8-17)9-19-22(15)14-6-4-3-5-7-14/h3-7,9-11H,2H2,1H3,(H,20,23)
InChIKeyBUQWJJMMCLBXEV-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.21
Rot. Bonds4

About N-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide

N-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide (PubChem CID 19281155) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is N-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide
PubChem CID19281155
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC NameN-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1
InChIInChI=1S/C16H14N6O/c1-2-21-11-13(10-18-21)16(23)20-15-12(8-17)9-19-22(15)14-6-4-3-5-7-14/h3-7,9-11H,2H2,1H3,(H,20,23)
InChIKeyBUQWJJMMCLBXEV-UHFFFAOYSA-N
XLogP2.21
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[(1-ethylpyrazole-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 19281004
methyl 2-[(4-cyano-1-phenylpyrazol-5-yl)carbamoyl]benzoate
CID 108798676
N-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 19474111
N-(4-cyano-1-phenylpyrazol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281708
N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281419
4-bromo-N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-dimethylpyrazole-5-carboxamide
CID 19480531
2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide
CID 19533516
N-(4-cyano-1-phenylpyrazol-5-yl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447094
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide
CID 71979949
4-[[[2-[(4-cyano-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 47075344
1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19579044

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide (CID 19281155) is N-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1.
What is the InChIKey of N-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide?
The InChIKey is BUQWJJMMCLBXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-2-21-11-13(10-18-21)16(23)20-15-12(8-17)9-19-22(15)14-6-4-3-5-7-14/h3-7,9-11H,2H2,1H3,(H,20,23).
What are the key properties of N-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide?
N-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 19281155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).