(5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone

C11H10ClN3O — CID 65360377

IUPAC(5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone
SMILESCn1ncc(C(=O)c2ccccc2Cl)c1N
InChIInChI=1S/C11H10ClN3O/c1-15-11(13)8(6-14-15)10(16)7-4-2-3-5-9(7)12/h2-6H,13H2,1H3
InChIKeyHHYPOMWDZHBBOW-UHFFFAOYSA-N
MW235.67 g/mol
LogP1.89
Rot. Bonds2

About (5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone

(5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone (PubChem CID 65360377) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone
PubChem CID65360377
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone
SMILESCn1ncc(C(=O)c2ccccc2Cl)c1N
InChIInChI=1S/C11H10ClN3O/c1-15-11(13)8(6-14-15)10(16)7-4-2-3-5-9(7)12/h2-6H,13H2,1H3
InChIKeyHHYPOMWDZHBBOW-UHFFFAOYSA-N
XLogP1.89
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-1-methylpyrazol-4-yl)-naphthalen-1-ylmethanone
CID 65360215
(5-amino-1-methylpyrazol-4-yl)-(2-chlorothiophen-3-yl)methanone
CID 131048993
(5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114744165
(5-amino-1-methylpyrazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 113288574
1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone
CID 65360640
(4-chlorophenyl) 5-amino-1-methylpyrazole-4-carboxylate
CID 117213683
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide
CID 79523235
methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate
CID 82546289
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
5-amino-N'-(4-chlorophenyl)-1-methylpyrazole-4-carbohydrazide
CID 176657421
(5-amino-1-methylpyrazol-4-yl)-(azocan-1-yl)methanone
CID 115330379
5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide
CID 104625471

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone (CID 65360377) is (5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone is Cn1ncc(C(=O)c2ccccc2Cl)c1N.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone?
The InChIKey is HHYPOMWDZHBBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-15-11(13)8(6-14-15)10(16)7-4-2-3-5-9(7)12/h2-6H,13H2,1H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone?
(5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone has a molecular weight of 235.67 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone is sourced from PubChem (CID 65360377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).