N-(4-cyanophenyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide

C15H16N4O — CID 102810450

IUPACN-(4-cyanophenyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(C)c1ccc(C#N)cc1
InChIInChI=1S/C15H16N4O/c1-4-14-13(10-18(2)17-14)15(20)19(3)12-7-5-11(9-16)6-8-12/h5-8,10H,4H2,1-3H3
InChIKeyBMOTWXAMCLRAAS-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.13
Rot. Bonds3

About N-(4-cyanophenyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide

N-(4-cyanophenyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 102810450) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
PubChem CID102810450
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(4-cyanophenyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(C)c1ccc(C#N)cc1
InChIInChI=1S/C15H16N4O/c1-4-14-13(10-18(2)17-14)15(20)19(3)12-7-5-11(9-16)6-8-12/h5-8,10H,4H2,1-3H3
InChIKeyBMOTWXAMCLRAAS-UHFFFAOYSA-N
XLogP2.13
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanophenyl)-3,3-diethyl-1-methylurea
CID 79161464
N-(4-cyanophenyl)-N,2-dimethylbenzamide
CID 62982757
4-bromo-N-(4-cyanophenyl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 62982520
4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide
CID 66125175
N-(4-cyanophenyl)-N,2,4-trimethylbenzamide
CID 62982931
2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62982925
N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103893889
N-(4-cyanophenyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 113290784
N-(4-cyanophenyl)-4-hydroxy-N,2-dimethylbenzamide
CID 107671429
3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 102810325
2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide
CID 114918456
N-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 103893389

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide (CID 102810450) is N-(4-cyanophenyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)N(C)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is BMOTWXAMCLRAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-4-14-13(10-18(2)17-14)15(20)19(3)12-7-5-11(9-16)6-8-12/h5-8,10H,4H2,1-3H3.
What are the key properties of N-(4-cyanophenyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide?
N-(4-cyanophenyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 102810450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).