N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide

C15H15ClN4O2 — CID 56818038

IUPACN-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)Cn1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C15H15ClN4O2/c16-11-3-1-2-10(8-11)15(5-6-15)14(22)18-13-4-7-20(19-13)9-12(17)21/h1-4,7-8H,5-6,9H2,(H2,17,21)(H,18,19,22)
InChIKeyKXCCABUVJHOQJO-UHFFFAOYSA-N
MW318.76 g/mol
LogP1.69
Rot. Bonds5

About N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide

N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 56818038) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID56818038
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)Cn1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C15H15ClN4O2/c16-11-3-1-2-10(8-11)15(5-6-15)14(22)18-13-4-7-20(19-13)9-12(17)21/h1-4,7-8H,5-6,9H2,(H2,17,21)(H,18,19,22)
InChIKeyKXCCABUVJHOQJO-UHFFFAOYSA-N
XLogP1.69
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide (CID 56818038) is N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide is NC(=O)Cn1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is KXCCABUVJHOQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c16-11-3-1-2-10(8-11)15(5-6-15)14(22)18-13-4-7-20(19-13)9-12(17)21/h1-4,7-8H,5-6,9H2,(H2,17,21)(H,18,19,22).
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide?
N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 56818038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).