(2-chlorophenyl)methyl 4-amino-1-methylpyrazole-3-carboxylate

C12H12ClN3O2 — CID 65355449

IUPAC(2-chlorophenyl)methyl 4-amino-1-methylpyrazole-3-carboxylate
SMILESCn1cc(N)c(C(=O)OCc2ccccc2Cl)n1
InChIInChI=1S/C12H12ClN3O2/c1-16-6-10(14)11(15-16)12(17)18-7-8-4-2-3-5-9(8)13/h2-6H,7,14H2,1H3
InChIKeyWPLJECVXWDGAJW-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.01
Rot. Bonds3

About (2-chlorophenyl)methyl 4-amino-1-methylpyrazole-3-carboxylate

(2-chlorophenyl)methyl 4-amino-1-methylpyrazole-3-carboxylate (PubChem CID 65355449) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 4-amino-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 4-amino-1-methylpyrazole-3-carboxylate
PubChem CID65355449
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name(2-chlorophenyl)methyl 4-amino-1-methylpyrazole-3-carboxylate
SMILESCn1cc(N)c(C(=O)OCc2ccccc2Cl)n1
InChIInChI=1S/C12H12ClN3O2/c1-16-6-10(14)11(15-16)12(17)18-7-8-4-2-3-5-9(8)13/h2-6H,7,14H2,1H3
InChIKeyWPLJECVXWDGAJW-UHFFFAOYSA-N
XLogP2.01
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-1-[(2-chlorophenyl)methyl]pyrazole-3-carboxylate
CID 107344600
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate
CID 104564300
(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279797
(2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate
CID 61277658
4-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-1-methylpyrazole-3-carboxamide
CID 65353910
(2-chlorophenyl)methyl 1-(4-bromophenyl)-5-methyltriazole-4-carboxylate
CID 42585419
(2-chlorophenyl)methyl 6-chloropyridazine-3-carboxylate
CID 63840334
(2-chlorophenyl)methyl 3-amino-4-fluorobenzoate
CID 61277657
(2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61308313
(2-chlorophenyl)methyl 2-(methylamino)benzoate
CID 895057
3-(2,6-dichlorophenyl)-1-methylpyrazol-4-amine
CID 71514034
(2-chlorophenyl)methyl 2-aminoacetate
CID 54593146

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 4-amino-1-methylpyrazole-3-carboxylate?
The IUPAC name of (2-chlorophenyl)methyl 4-amino-1-methylpyrazole-3-carboxylate (CID 65355449) is (2-chlorophenyl)methyl 4-amino-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for (2-chlorophenyl)methyl 4-amino-1-methylpyrazole-3-carboxylate?
The canonical SMILES for (2-chlorophenyl)methyl 4-amino-1-methylpyrazole-3-carboxylate is Cn1cc(N)c(C(=O)OCc2ccccc2Cl)n1.
What is the InChIKey of (2-chlorophenyl)methyl 4-amino-1-methylpyrazole-3-carboxylate?
The InChIKey is WPLJECVXWDGAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-16-6-10(14)11(15-16)12(17)18-7-8-4-2-3-5-9(8)13/h2-6H,7,14H2,1H3.
What are the key properties of (2-chlorophenyl)methyl 4-amino-1-methylpyrazole-3-carboxylate?
(2-chlorophenyl)methyl 4-amino-1-methylpyrazole-3-carboxylate has a molecular weight of 265.70 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 4-amino-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 65355449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).