N-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide

C14H17N3O — CID 43582677

IUPACN-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCCN(C(=O)c1c(C)n[nH]c1C)c1ccccc1
InChIInChI=1S/C14H17N3O/c1-4-17(12-8-6-5-7-9-12)14(18)13-10(2)15-16-11(13)3/h5-9H,4H2,1-3H3,(H,15,16)
InChIKeyYFHJNDHOOHHGIL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.69
Rot. Bonds3

About N-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide

N-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 43582677) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
PubChem CID43582677
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCCN(C(=O)c1c(C)n[nH]c1C)c1ccccc1
InChIInChI=1S/C14H17N3O/c1-4-17(12-8-6-5-7-9-12)14(18)13-10(2)15-16-11(13)3/h5-9H,4H2,1-3H3,(H,15,16)
InChIKeyYFHJNDHOOHHGIL-UHFFFAOYSA-N
XLogP2.69
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanoethyl)-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 43582277
N-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide
CID 110691733
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
N-ethyl-4,5-dimethyl-N-phenyl-1,3-thiazole-2-carboxamide
CID 110696368
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
(4-benzylpiperazin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 110695185
N-ethyl-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857874
ethyl 5-[ethyl(phenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 46545897
N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 11302447
4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 64586918
3-(4-bromophenyl)-N-ethyl-N-phenyl-1H-pyrazole-5-carboxamide
CID 39584379
N-ethyl-2-methyl-6-oxo-N-phenyl-1H-pyrimidine-5-carboxamide
CID 110857948

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide (CID 43582677) is N-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide is CCN(C(=O)c1c(C)n[nH]c1C)c1ccccc1.
What is the InChIKey of N-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is YFHJNDHOOHHGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-17(12-8-6-5-7-9-12)14(18)13-10(2)15-16-11(13)3/h5-9H,4H2,1-3H3,(H,15,16).
What are the key properties of N-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide?
N-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).