3-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrazole-5-carboxamide

C16H15ClN6O — CID 66558170

IUPAC3-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrazole-5-carboxamide
SMILESCCc1ccc(Cl)cc1-n1nc(-c2ccnc(N)n2)cc1C(N)=O
InChIInChI=1S/C16H15ClN6O/c1-2-9-3-4-10(17)7-13(9)23-14(15(18)24)8-12(22-23)11-5-6-20-16(19)21-11/h3-8H,2H2,1H3,(H2,18,24)(H2,19,20,21)
InChIKeyZYDBWXADPWQAMI-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.23
Rot. Bonds4

About 3-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrazole-5-carboxamide

3-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrazole-5-carboxamide (PubChem CID 66558170) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrazole-5-carboxamide
PubChem CID66558170
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC Name3-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrazole-5-carboxamide
SMILESCCc1ccc(Cl)cc1-n1nc(-c2ccnc(N)n2)cc1C(N)=O
InChIInChI=1S/C16H15ClN6O/c1-2-9-3-4-10(17)7-13(9)23-14(15(18)24)8-12(22-23)11-5-6-20-16(19)21-11/h3-8H,2H2,1H3,(H2,18,24)(H2,19,20,21)
InChIKeyZYDBWXADPWQAMI-UHFFFAOYSA-N
XLogP2.23
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrazole-5-carboxamide (CID 66558170) is 3-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrazole-5-carboxamide is CCc1ccc(Cl)cc1-n1nc(-c2ccnc(N)n2)cc1C(N)=O.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrazole-5-carboxamide?
The InChIKey is ZYDBWXADPWQAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O/c1-2-9-3-4-10(17)7-13(9)23-14(15(18)24)8-12(22-23)11-5-6-20-16(19)21-11/h3-8H,2H2,1H3,(H2,18,24)(H2,19,20,21).
What are the key properties of 3-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrazole-5-carboxamide?
3-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrazole-5-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 66558170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).