1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide

C12H12ClN5O — CID 80978004

IUPAC1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide
SMILESCc1c(Cl)nc(C2CC2)nc1-n1cc(C(N)=O)cn1
InChIInChI=1S/C12H12ClN5O/c1-6-9(13)16-11(7-2-3-7)17-12(6)18-5-8(4-15-18)10(14)19/h4-5,7H,2-3H2,1H3,(H2,14,19)
InChIKeyNHSWRVSLJIOVGS-UHFFFAOYSA-N
MW277.72 g/mol
LogP1.60
Rot. Bonds3

About 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide

1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide (PubChem CID 80978004) has the molecular formula C12H12ClN5O and a molecular weight of 277.72 g/mol. Its IUPAC name is 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide
PubChem CID80978004
Molecular FormulaC12H12ClN5O
Molecular Weight277.72 g/mol
Exact Mass277.07
IUPAC Name1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide
SMILESCc1c(Cl)nc(C2CC2)nc1-n1cc(C(N)=O)cn1
InChIInChI=1S/C12H12ClN5O/c1-6-9(13)16-11(7-2-3-7)17-12(6)18-5-8(4-15-18)10(14)19/h4-5,7H,2-3H2,1H3,(H2,14,19)
InChIKeyNHSWRVSLJIOVGS-UHFFFAOYSA-N
XLogP1.60
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide (CID 80978004) is 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide is Cc1c(Cl)nc(C2CC2)nc1-n1cc(C(N)=O)cn1.
What is the InChIKey of 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is NHSWRVSLJIOVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O/c1-6-9(13)16-11(7-2-3-7)17-12(6)18-5-8(4-15-18)10(14)19/h4-5,7H,2-3H2,1H3,(H2,14,19).
What are the key properties of 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide?
1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 277.72 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 80978004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).