(5-amino-1H-pyrazol-4-yl)-(4-chlorophenyl)methanone

C10H8ClN3O — CID 10680524

IUPAC(5-amino-1H-pyrazol-4-yl)-(4-chlorophenyl)methanone
SMILESNc1[nH]ncc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClN3O/c11-7-3-1-6(2-4-7)9(15)8-5-13-14-10(8)12/h1-5H,(H3,12,13,14)
InChIKeySKLWKJPYUVLVAE-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.88
Rot. Bonds2

About (5-amino-1H-pyrazol-4-yl)-(4-chlorophenyl)methanone

(5-amino-1H-pyrazol-4-yl)-(4-chlorophenyl)methanone (PubChem CID 10680524) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(4-chlorophenyl)methanone
PubChem CID10680524
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(4-chlorophenyl)methanone
SMILESNc1[nH]ncc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClN3O/c11-7-3-1-6(2-4-7)9(15)8-5-13-14-10(8)12/h1-5H,(H3,12,13,14)
InChIKeySKLWKJPYUVLVAE-UHFFFAOYSA-N
XLogP1.88
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(4-chlorophenyl)methanone (CID 10680524) is (5-amino-1H-pyrazol-4-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(4-chlorophenyl)methanone is Nc1[nH]ncc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(4-chlorophenyl)methanone?
The InChIKey is SKLWKJPYUVLVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-7-3-1-6(2-4-7)9(15)8-5-13-14-10(8)12/h1-5H,(H3,12,13,14).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(4-chlorophenyl)methanone?
(5-amino-1H-pyrazol-4-yl)-(4-chlorophenyl)methanone has a molecular weight of 221.65 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 10680524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).