1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide

C10H10ClN5O — CID 64781989

IUPAC1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide
SMILESCCc1c(Cl)ncnc1-n1cc(C(N)=O)cn1
InChIInChI=1S/C10H10ClN5O/c1-2-7-8(11)13-5-14-10(7)16-4-6(3-15-16)9(12)17/h3-5H,2H2,1H3,(H2,12,17)
InChIKeyOKLDIWOQAOGKDJ-UHFFFAOYSA-N
MW251.68 g/mol
LogP0.98
Rot. Bonds3

About 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide

1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide (PubChem CID 64781989) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide
PubChem CID64781989
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide
SMILESCCc1c(Cl)ncnc1-n1cc(C(N)=O)cn1
InChIInChI=1S/C10H10ClN5O/c1-2-7-8(11)13-5-14-10(7)16-4-6(3-15-16)9(12)17/h3-5H,2H2,1H3,(H2,12,17)
InChIKeyOKLDIWOQAOGKDJ-UHFFFAOYSA-N
XLogP0.98
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide (CID 64781989) is 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide is CCc1c(Cl)ncnc1-n1cc(C(N)=O)cn1.
What is the InChIKey of 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is OKLDIWOQAOGKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-2-7-8(11)13-5-14-10(7)16-4-6(3-15-16)9(12)17/h3-5H,2H2,1H3,(H2,12,17).
What are the key properties of 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide?
1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 251.68 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 64781989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).