4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide

C15H20N4O — CID 106899160

IUPAC4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide
SMILESCCc1ccc(CNC(=O)c2nn(CC)cc2N)cc1
InChIInChI=1S/C15H20N4O/c1-3-11-5-7-12(8-6-11)9-17-15(20)14-13(16)10-19(4-2)18-14/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,20)
InChIKeyNUUNNUGNGOFBMU-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.98
Rot. Bonds5

About 4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide

4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 106899160) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID106899160
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide
SMILESCCc1ccc(CNC(=O)c2nn(CC)cc2N)cc1
InChIInChI=1S/C15H20N4O/c1-3-11-5-7-12(8-6-11)9-17-15(20)14-13(16)10-19(4-2)18-14/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,20)
InChIKeyNUUNNUGNGOFBMU-UHFFFAOYSA-N
XLogP1.98
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide
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CID 19620451
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
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CID 65363321
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CID 65362915
4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
CID 65358786
4-amino-1-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide
CID 65358349
4-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide
CID 65357986
4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65359220
4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]pyrazole-3-carboxamide
CID 65357738
4-amino-1-ethyl-N-(2-thiophen-3-ylethyl)pyrazole-3-carboxamide
CID 65358162

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide (CID 106899160) is 4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide is CCc1ccc(CNC(=O)c2nn(CC)cc2N)cc1.
What is the InChIKey of 4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is NUUNNUGNGOFBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-11-5-7-12(8-6-11)9-17-15(20)14-13(16)10-19(4-2)18-14/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide?
4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 106899160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).