[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-cyclopropylmethanone

C14H11ClN2O3 — CID 2439870

IUPAC[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-cyclopropylmethanone
SMILESO=C(c1cnn(C(=O)C2CC2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H11ClN2O3/c15-10-3-4-12(18)11(5-10)13(19)9-6-16-17(7-9)14(20)8-1-2-8/h3-8,18H,1-2H2
InChIKeyBVXYBQZZCKQBJV-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.52
Rot. Bonds3

About [4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-cyclopropylmethanone

[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-cyclopropylmethanone (PubChem CID 2439870) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is [4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-cyclopropylmethanone
PubChem CID2439870
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-cyclopropylmethanone
SMILESO=C(c1cnn(C(=O)C2CC2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H11ClN2O3/c15-10-3-4-12(18)11(5-10)13(19)9-6-16-17(7-9)14(20)8-1-2-8/h3-8,18H,1-2H2
InChIKeyBVXYBQZZCKQBJV-UHFFFAOYSA-N
XLogP2.52
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-cyclopropylmethanone (CID 2439870) is [4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-cyclopropylmethanone is O=C(c1cnn(C(=O)C2CC2)c1)c1cc(Cl)ccc1O.
What is the InChIKey of [4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-cyclopropylmethanone?
The InChIKey is BVXYBQZZCKQBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-10-3-4-12(18)11(5-10)13(19)9-6-16-17(7-9)14(20)8-1-2-8/h3-8,18H,1-2H2.
What are the key properties of [4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-cyclopropylmethanone?
[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-cyclopropylmethanone has a molecular weight of 290.71 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 2439870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).