4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

C15H20N4O — CID 62077044

IUPAC4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C15H20N4O/c1-4-10-7-5-6-8-11(10)17-15(20)14-12(16)13(9(2)3)18-19-14/h5-9H,4,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyOEHIJXJMYNHBJY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.93
Rot. Bonds4

About 4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 62077044) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID62077044
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C15H20N4O/c1-4-10-7-5-6-8-11(10)17-15(20)14-12(16)13(9(2)3)18-19-14/h5-9H,4,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyOEHIJXJMYNHBJY-UHFFFAOYSA-N
XLogP2.93
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 62077044) is 4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is CCc1ccccc1NC(=O)c1n[nH]c(C(C)C)c1N.
What is the InChIKey of 4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is OEHIJXJMYNHBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-10-7-5-6-8-11(10)17-15(20)14-12(16)13(9(2)3)18-19-14/h5-9H,4,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62077044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).