(4-amino-1,5-dimethylpyrazol-3-yl)-phenylmethanone;hydrochloride

C12H14ClN3O — CID 117069035

IUPAC(4-amino-1,5-dimethylpyrazol-3-yl)-phenylmethanone;hydrochloride
SMILESCc1c(N)c(C(=O)c2ccccc2)nn1C.Cl
InChIInChI=1S/C12H13N3O.ClH/c1-8-10(13)11(14-15(8)2)12(16)9-6-4-3-5-7-9;/h3-7H,13H2,1-2H3;1H
InChIKeyKFYUZEXWLSQSCS-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.96
Rot. Bonds2

About (4-amino-1,5-dimethylpyrazol-3-yl)-phenylmethanone;hydrochloride

(4-amino-1,5-dimethylpyrazol-3-yl)-phenylmethanone;hydrochloride (PubChem CID 117069035) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is (4-amino-1,5-dimethylpyrazol-3-yl)-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-1,5-dimethylpyrazol-3-yl)-phenylmethanone;hydrochloride
PubChem CID117069035
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name(4-amino-1,5-dimethylpyrazol-3-yl)-phenylmethanone;hydrochloride
SMILESCc1c(N)c(C(=O)c2ccccc2)nn1C.Cl
InChIInChI=1S/C12H13N3O.ClH/c1-8-10(13)11(14-15(8)2)12(16)9-6-4-3-5-7-9;/h3-7H,13H2,1-2H3;1H
InChIKeyKFYUZEXWLSQSCS-UHFFFAOYSA-N
XLogP1.96
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1,5-dimethylpyrazol-3-yl)-phenylmethanone;hydrochloride?
The IUPAC name of (4-amino-1,5-dimethylpyrazol-3-yl)-phenylmethanone;hydrochloride (CID 117069035) is (4-amino-1,5-dimethylpyrazol-3-yl)-phenylmethanone;hydrochloride.
What is the SMILES notation for (4-amino-1,5-dimethylpyrazol-3-yl)-phenylmethanone;hydrochloride?
The canonical SMILES for (4-amino-1,5-dimethylpyrazol-3-yl)-phenylmethanone;hydrochloride is Cc1c(N)c(C(=O)c2ccccc2)nn1C.Cl.
What is the InChIKey of (4-amino-1,5-dimethylpyrazol-3-yl)-phenylmethanone;hydrochloride?
The InChIKey is KFYUZEXWLSQSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O.ClH/c1-8-10(13)11(14-15(8)2)12(16)9-6-4-3-5-7-9;/h3-7H,13H2,1-2H3;1H.
What are the key properties of (4-amino-1,5-dimethylpyrazol-3-yl)-phenylmethanone;hydrochloride?
(4-amino-1,5-dimethylpyrazol-3-yl)-phenylmethanone;hydrochloride has a molecular weight of 251.72 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,5-dimethylpyrazol-3-yl)-phenylmethanone;hydrochloride is sourced from PubChem (CID 117069035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).