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

C10H7ClN2O — CID 15880397

IUPAC(4-chlorophenyl)-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccn[nH]1
InChIInChI=1S/C10H7ClN2O/c11-8-3-1-7(2-4-8)10(14)9-5-6-12-13-9/h1-6H,(H,12,13)
InChIKeyYQRISINPLABDKE-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.29
Rot. Bonds2

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

(4-chlorophenyl)-(1H-pyrazol-5-yl)methanone (PubChem CID 15880397) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is (4-chlorophenyl)-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(1H-pyrazol-5-yl)methanone
PubChem CID15880397
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name(4-chlorophenyl)-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccn[nH]1
InChIInChI=1S/C10H7ClN2O/c11-8-3-1-7(2-4-8)10(14)9-5-6-12-13-9/h1-6H,(H,12,13)
InChIKeyYQRISINPLABDKE-UHFFFAOYSA-N
XLogP2.29
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1H-pyrazol-5-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(1H-pyrazol-5-yl)methanone (CID 15880397) is (4-chlorophenyl)-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(1H-pyrazol-5-yl)methanone is O=C(c1ccc(Cl)cc1)c1ccn[nH]1.
What is the InChIKey of (4-chlorophenyl)-(1H-pyrazol-5-yl)methanone?
The InChIKey is YQRISINPLABDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-8-3-1-7(2-4-8)10(14)9-5-6-12-13-9/h1-6H,(H,12,13).
What are the key properties of (4-chlorophenyl)-(1H-pyrazol-5-yl)methanone?
(4-chlorophenyl)-(1H-pyrazol-5-yl)methanone has a molecular weight of 206.63 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 15880397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).