4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide

C13H16N4O — CID 3112957

IUPAC4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide
SMILESCCN(C(=O)c1c(N)cnn1C)c1ccccc1
InChIInChI=1S/C13H16N4O/c1-3-17(10-7-5-4-6-8-10)13(18)12-11(14)9-15-16(12)2/h4-9H,3,14H2,1-2H3
InChIKeyGCKXMLXVCJBMQU-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.67
Rot. Bonds3

About 4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide

4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide (PubChem CID 3112957) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide
PubChem CID3112957
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide
SMILESCCN(C(=O)c1c(N)cnn1C)c1ccccc1
InChIInChI=1S/C13H16N4O/c1-3-17(10-7-5-4-6-8-10)13(18)12-11(14)9-15-16(12)2/h4-9H,3,14H2,1-2H3
InChIKeyGCKXMLXVCJBMQU-UHFFFAOYSA-N
XLogP1.67
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19623720
4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide
CID 65355774
4-amino-N,1-diethyl-N-(3-fluorophenyl)pyrazole-5-carboxamide
CID 65359004
N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide
CID 42789423
ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)-ethylamino]acetate
CID 65359410
4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide
CID 132586605
6-amino-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 114035687
4-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 65359930
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 65359823
3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide
CID 29097744
4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 65359533
4-amino-N-ethyl-1,3-dimethyl-N-(4-methylphenyl)pyrazole-5-carboxamide
CID 66123231

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide (CID 3112957) is 4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide is CCN(C(=O)c1c(N)cnn1C)c1ccccc1.
What is the InChIKey of 4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide?
The InChIKey is GCKXMLXVCJBMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-17(10-7-5-4-6-8-10)13(18)12-11(14)9-15-16(12)2/h4-9H,3,14H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide?
4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 3112957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).