4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide

C15H20N4O — CID 65355774

IUPAC4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide
SMILESCCN(Cc1ccccc1C)C(=O)c1c(N)cnn1C
InChIInChI=1S/C15H20N4O/c1-4-19(10-12-8-6-5-7-11(12)2)15(20)14-13(16)9-17-18(14)3/h5-9H,4,10,16H2,1-3H3
InChIKeyPPFRZVQRTLZFOM-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.97
Rot. Bonds4

About 4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide

4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide (PubChem CID 65355774) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide
PubChem CID65355774
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide
SMILESCCN(Cc1ccccc1C)C(=O)c1c(N)cnn1C
InChIInChI=1S/C15H20N4O/c1-4-19(10-12-8-6-5-7-11(12)2)15(20)14-13(16)9-17-18(14)3/h5-9H,4,10,16H2,1-3H3
InChIKeyPPFRZVQRTLZFOM-UHFFFAOYSA-N
XLogP1.97
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide (CID 65355774) is 4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide is CCN(Cc1ccccc1C)C(=O)c1c(N)cnn1C.
What is the InChIKey of 4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide?
The InChIKey is PPFRZVQRTLZFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-19(10-12-8-6-5-7-11(12)2)15(20)14-13(16)9-17-18(14)3/h5-9H,4,10,16H2,1-3H3.
What are the key properties of 4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide?
4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.97, 4 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-[(2-methylphenyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 65355774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).