(2-chloro-4-cyanophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate

C13H11ClN4O2 — CID 102669585

IUPAC(2-chloro-4-cyanophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
SMILESN#Cc1ccc(COC(=O)Cn2cc(N)cn2)c(Cl)c1
InChIInChI=1S/C13H11ClN4O2/c14-12-3-9(4-15)1-2-10(12)8-20-13(19)7-18-6-11(16)5-17-18/h1-3,5-6H,7-8,16H2
InChIKeyFHRZEDZLWCQSQT-UHFFFAOYSA-N
MW290.71 g/mol
LogP1.73
Rot. Bonds4

About (2-chloro-4-cyanophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate

(2-chloro-4-cyanophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate (PubChem CID 102669585) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is (2-chloro-4-cyanophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name(2-chloro-4-cyanophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
PubChem CID102669585
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC Name(2-chloro-4-cyanophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
SMILESN#Cc1ccc(COC(=O)Cn2cc(N)cn2)c(Cl)c1
InChIInChI=1S/C13H11ClN4O2/c14-12-3-9(4-15)1-2-10(12)8-20-13(19)7-18-6-11(16)5-17-18/h1-3,5-6H,7-8,16H2
InChIKeyFHRZEDZLWCQSQT-UHFFFAOYSA-N
XLogP1.73
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-chloro-4-cyanophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-cyano-2-fluorophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61315977
2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid
CID 115463289
(3-cyano-4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 65339738
(2-chloro-4-cyanophenyl)methyl 4-amino-2-chlorobenzoate
CID 102669571
(2-bromo-5-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 65326849
2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
CID 104847822
(2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 62548645
(4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61316942
(2-chloro-4-cyanophenyl)methyl 3-amino-5-methylbenzoate
CID 102669615
2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide
CID 61102362
(4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61285978
2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 43445480

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-cyanophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The IUPAC name of (2-chloro-4-cyanophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate (CID 102669585) is (2-chloro-4-cyanophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate.
What is the SMILES notation for (2-chloro-4-cyanophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The canonical SMILES for (2-chloro-4-cyanophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate is N#Cc1ccc(COC(=O)Cn2cc(N)cn2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-cyanophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The InChIKey is FHRZEDZLWCQSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c14-12-3-9(4-15)1-2-10(12)8-20-13(19)7-18-6-11(16)5-17-18/h1-3,5-6H,7-8,16H2.
What are the key properties of (2-chloro-4-cyanophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
(2-chloro-4-cyanophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate has a molecular weight of 290.71 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-cyanophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 102669585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).