[4-amino-3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpyrazol-1-yl)methanone

C15H14ClN5O — CID 127032096

IUPAC[4-amino-3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2N)n1
InChIInChI=1S/C15H14ClN5O/c1-8-7-9(2)21(20-8)15(22)14-12(17)13(18-19-14)10-3-5-11(16)6-4-10/h3-7H,17H2,1-2H3,(H,18,19)
InChIKeyWJNCHWOOYDWDJT-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.81
Rot. Bonds2

About [4-amino-3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpyrazol-1-yl)methanone

[4-amino-3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 127032096) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is [4-amino-3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID127032096
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name[4-amino-3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2N)n1
InChIInChI=1S/C15H14ClN5O/c1-8-7-9(2)21(20-8)15(22)14-12(17)13(18-19-14)10-3-5-11(16)6-4-10/h3-7H,17H2,1-2H3,(H,18,19)
InChIKeyWJNCHWOOYDWDJT-UHFFFAOYSA-N
XLogP2.81
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-butyl-3-(4-chlorophenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]benzamide
CID 46864990
[4-amino-3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone
CID 127032394
3-(4-Chlorophenyl)-5-methyl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 137226430
5-(4-chlorophenyl)-3-methyl-6,7-dihydro-2H-pyrazolo[4,3-e][1,4]diazepin-8-one
CID 44374484
N-[3-(4-chlorophenyl)-7-oxo-5-pentyl-1H-pyrazolo[4,3-d]pyrimidin-6-yl]benzamide
CID 46864991
N-[3-(4-chlorophenyl)-7-oxo-5-pentyl-1H-pyrazolo[4,3-d]pyrimidin-6-yl]-3-methylbenzamide
CID 46864992
N-[3-(4-chlorophenyl)-7-oxo-5-propyl-1H-pyrazolo[4,3-d]pyrimidin-6-yl]benzamide
CID 46880755
N-[3-(4-chlorophenyl)-5-(2-cyclopentylethyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]benzamide
CID 46880795
1-[4-amino-3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrazolidine-3,5-dione
CID 127027555
6-amino-3-(4-chlorophenyl)-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-one
CID 127027557
2-[4-amino-3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-5-methyl-4H-pyrazol-3-one
CID 127032395
1-benzyl-3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 44436846

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of [4-amino-3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpyrazol-1-yl)methanone (CID 127032096) is [4-amino-3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for [4-amino-3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for [4-amino-3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpyrazol-1-yl)methanone is Cc1cc(C)n(C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2N)n1.
What is the InChIKey of [4-amino-3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is WJNCHWOOYDWDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c1-8-7-9(2)21(20-8)15(22)14-12(17)13(18-19-14)10-3-5-11(16)6-4-10/h3-7H,17H2,1-2H3,(H,18,19).
What are the key properties of [4-amino-3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
[4-amino-3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 315.76 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 127032096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).