ethyl 1-(6-amino-5-chloropyrimidin-4-yl)pyrazole-4-carboxylate

C10H10ClN5O2 — CID 114049975

IUPACethyl 1-(6-amino-5-chloropyrimidin-4-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ncnc(N)c2Cl)c1
InChIInChI=1S/C10H10ClN5O2/c1-2-18-10(17)6-3-15-16(4-6)9-7(11)8(12)13-5-14-9/h3-5H,2H2,1H3,(H2,12,13,14)
InChIKeyWKGHEVQGHHIOJG-UHFFFAOYSA-N
MW267.68 g/mol
LogP1.07
Rot. Bonds3

About ethyl 1-(6-amino-5-chloropyrimidin-4-yl)pyrazole-4-carboxylate

ethyl 1-(6-amino-5-chloropyrimidin-4-yl)pyrazole-4-carboxylate (PubChem CID 114049975) has the molecular formula C10H10ClN5O2 and a molecular weight of 267.68 g/mol. Its IUPAC name is ethyl 1-(6-amino-5-chloropyrimidin-4-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-amino-5-chloropyrimidin-4-yl)pyrazole-4-carboxylate
PubChem CID114049975
Molecular FormulaC10H10ClN5O2
Molecular Weight267.68 g/mol
Exact Mass267.05
IUPAC Nameethyl 1-(6-amino-5-chloropyrimidin-4-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ncnc(N)c2Cl)c1
InChIInChI=1S/C10H10ClN5O2/c1-2-18-10(17)6-3-15-16(4-6)9-7(11)8(12)13-5-14-9/h3-5H,2H2,1H3,(H2,12,13,14)
InChIKeyWKGHEVQGHHIOJG-UHFFFAOYSA-N
XLogP1.07
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-2-(4-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 81497583
ethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate
CID 102919264
ethyl 1-(2-chloropyrimidin-4-yl)pyrazole-4-carboxylate
CID 81497796
ethyl 1-(4-amino-6-chloro-2-pyridinyl)pyrazole-4-carboxylate
CID 114070657
ethyl 1-(4-amino-5-chloro-2-methylphenyl)pyrazole-4-carboxylate
CID 115555196
ethyl 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrazole-4-carboxylate
CID 81495243
ethyl 1-(2-amino-4-methylphenyl)pyrazole-4-carboxylate
CID 81498302
1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide
CID 64781989
2-(4-ethoxycarbonylpyrazol-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
CID 81496106
ethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate
CID 135154885
ethyl 1-bromopyrazole-4-carboxylate
CID 139403370
ethyl 1-(2-amino-3-sulfamoylphenyl)pyrazole-4-carboxylate
CID 115992951

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-amino-5-chloropyrimidin-4-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(6-amino-5-chloropyrimidin-4-yl)pyrazole-4-carboxylate (CID 114049975) is ethyl 1-(6-amino-5-chloropyrimidin-4-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(6-amino-5-chloropyrimidin-4-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(6-amino-5-chloropyrimidin-4-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ncnc(N)c2Cl)c1.
What is the InChIKey of ethyl 1-(6-amino-5-chloropyrimidin-4-yl)pyrazole-4-carboxylate?
The InChIKey is WKGHEVQGHHIOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2/c1-2-18-10(17)6-3-15-16(4-6)9-7(11)8(12)13-5-14-9/h3-5H,2H2,1H3,(H2,12,13,14).
What are the key properties of ethyl 1-(6-amino-5-chloropyrimidin-4-yl)pyrazole-4-carboxylate?
ethyl 1-(6-amino-5-chloropyrimidin-4-yl)pyrazole-4-carboxylate has a molecular weight of 267.68 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-amino-5-chloropyrimidin-4-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 114049975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).