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

C15H20N4O — CID 65357533

IUPAC4-amino-1-ethyl-N-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C15H20N4O/c1-4-19-14(13(16)9-17-19)15(20)18(3)10-12-8-6-5-7-11(12)2/h5-9H,4,10,16H2,1-3H3
InChIKeyJJQBNSPXHAAQSG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.07
Rot. Bonds4

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

4-amino-1-ethyl-N-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide (PubChem CID 65357533) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide
PubChem CID65357533
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-1-ethyl-N-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C15H20N4O/c1-4-19-14(13(16)9-17-19)15(20)18(3)10-12-8-6-5-7-11(12)2/h5-9H,4,10,16H2,1-3H3
InChIKeyJJQBNSPXHAAQSG-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 65357724
4-amino-1-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide
CID 65357552
4-amino-1-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-5-carboxamide
CID 65357392
4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide
CID 65355774
4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 65357697
4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 55178020
4-amino-1-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide
CID 65357102
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide
CID 65357594
3-amino-N-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 61094457
4-amino-N-cyclopropyl-N,1-diethylpyrazole-5-carboxamide
CID 65357045
1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 19477894

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide (CID 65357533) is 4-amino-1-ethyl-N-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)N(C)Cc1ccccc1C.
What is the InChIKey of 4-amino-1-ethyl-N-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide?
The InChIKey is JJQBNSPXHAAQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-19-14(13(16)9-17-19)15(20)18(3)10-12-8-6-5-7-11(12)2/h5-9H,4,10,16H2,1-3H3.
What are the key properties of 4-amino-1-ethyl-N-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide?
4-amino-1-ethyl-N-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 65357533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).