2-(4-aminopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide

C15H19ClN4O — CID 61106727

IUPAC2-(4-aminopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1cccc(Cl)c1)C(=O)Cn1cc(N)cn1
InChIInChI=1S/C15H19ClN4O/c1-11(2)20(8-12-4-3-5-13(16)6-12)15(21)10-19-9-14(17)7-18-19/h3-7,9,11H,8,10,17H2,1-2H3
InChIKeyBJLWKNXDUJFMOW-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.56
Rot. Bonds5

About 2-(4-aminopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide

2-(4-aminopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide (PubChem CID 61106727) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
PubChem CID61106727
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name2-(4-aminopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1cccc(Cl)c1)C(=O)Cn1cc(N)cn1
InChIInChI=1S/C15H19ClN4O/c1-11(2)20(8-12-4-3-5-13(16)6-12)15(21)10-19-9-14(17)7-18-19/h3-7,9,11H,8,10,17H2,1-2H3
InChIKeyBJLWKNXDUJFMOW-UHFFFAOYSA-N
XLogP2.56
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-2-(4-aminopyrazol-1-yl)-N-propan-2-ylacetamide
CID 43572615
N-[(3-chlorophenyl)methyl]-2-(3-nitro-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide
CID 87019889
1-[(3-chlorophenyl)methyl]pyrazol-4-amine
CID 7017127
2-(4-aminopyrazol-1-yl)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide
CID 61105405
4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
CID 63308078
2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79473076
2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79854440
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide
CID 54871076
N-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide
CID 7490632
3-amino-4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutanoic acid
CID 64896697
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
CID 65227482
N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 63048898

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide (CID 61106727) is 2-(4-aminopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide is CC(C)N(Cc1cccc(Cl)c1)C(=O)Cn1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide?
The InChIKey is BJLWKNXDUJFMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-11(2)20(8-12-4-3-5-13(16)6-12)15(21)10-19-9-14(17)7-18-19/h3-7,9,11H,8,10,17H2,1-2H3.
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide?
2-(4-aminopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide has a molecular weight of 306.80 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 61106727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).