1-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide

C10H10ClN5O — CID 79073921

IUPAC1-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2nc(Cl)ncc2C)n1
InChIInChI=1S/C10H10ClN5O/c1-6-5-13-10(11)14-8(6)16-4-3-7(15-16)9(17)12-2/h3-5H,1-2H3,(H,12,17)
InChIKeyNFSMMTHOUCPWRX-UHFFFAOYSA-N
MW251.68 g/mol
LogP0.98
Rot. Bonds2

About 1-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide

1-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide (PubChem CID 79073921) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 1-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
PubChem CID79073921
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name1-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2nc(Cl)ncc2C)n1
InChIInChI=1S/C10H10ClN5O/c1-6-5-13-10(11)14-8(6)16-4-3-7(15-16)9(17)12-2/h3-5H,1-2H3,(H,12,17)
InChIKeyNFSMMTHOUCPWRX-UHFFFAOYSA-N
XLogP0.98
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide (CID 79073921) is 1-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2nc(Cl)ncc2C)n1.
What is the InChIKey of 1-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide?
The InChIKey is NFSMMTHOUCPWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-6-5-13-10(11)14-8(6)16-4-3-7(15-16)9(17)12-2/h3-5H,1-2H3,(H,12,17).
What are the key properties of 1-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide?
1-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide has a molecular weight of 251.68 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 79073921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).