N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide

C15H19ClN4O — CID 62852915

IUPACN-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C15H19ClN4O/c1-3-17-10-11(2)15(21)19-13-9-12(16)5-6-14(13)20-8-4-7-18-20/h4-9,11,17H,3,10H2,1-2H3,(H,19,21)
InChIKeyCOVZZDXEEUAZRW-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.71
Rot. Bonds6

About N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide

N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide (PubChem CID 62852915) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide
PubChem CID62852915
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC NameN-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C15H19ClN4O/c1-3-17-10-11(2)15(21)19-13-9-12(16)5-6-14(13)20-8-4-7-18-20/h4-9,11,17H,3,10H2,1-2H3,(H,19,21)
InChIKeyCOVZZDXEEUAZRW-UHFFFAOYSA-N
XLogP2.71
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide (CID 62852915) is N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide is CCNCC(C)C(=O)Nc1cc(Cl)ccc1-n1cccn1.
What is the InChIKey of N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide?
The InChIKey is COVZZDXEEUAZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-3-17-10-11(2)15(21)19-13-9-12(16)5-6-14(13)20-8-4-7-18-20/h4-9,11,17H,3,10H2,1-2H3,(H,19,21).
What are the key properties of N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide?
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide has a molecular weight of 306.80 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62852915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).