1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide

C12H14ClN5O — CID 64781189

IUPAC1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ncnc(Cl)c2C(C)C)n1
InChIInChI=1S/C12H14ClN5O/c1-7(2)9-10(13)15-6-16-11(9)18-5-4-8(17-18)12(19)14-3/h4-7H,1-3H3,(H,14,19)
InChIKeyVZHCQLJYYYCFIB-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.80
Rot. Bonds3

About 1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide

1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide (PubChem CID 64781189) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
PubChem CID64781189
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ncnc(Cl)c2C(C)C)n1
InChIInChI=1S/C12H14ClN5O/c1-7(2)9-10(13)15-6-16-11(9)18-5-4-8(17-18)12(19)14-3/h4-7H,1-3H3,(H,14,19)
InChIKeyVZHCQLJYYYCFIB-UHFFFAOYSA-N
XLogP1.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.80
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-propan-2-ylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide (CID 64781189) is 1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2ncnc(Cl)c2C(C)C)n1.
What is the InChIKey of 1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide?
The InChIKey is VZHCQLJYYYCFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-7(2)9-10(13)15-6-16-11(9)18-5-4-8(17-18)12(19)14-3/h4-7H,1-3H3,(H,14,19).
What are the key properties of 1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide?
1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 1.80, 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-propan-2-ylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 64781189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).