N-[1-(4-cyanopyrimidin-5-yl)-3-methylpyrazol-4-yl]-N-methylacetamide

C12H12N6O — CID 160662567

IUPACN-[1-(4-cyanopyrimidin-5-yl)-3-methylpyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cn(-c2cncnc2C#N)nc1C
InChIInChI=1S/C12H12N6O/c1-8-12(17(3)9(2)19)6-18(16-8)11-5-14-7-15-10(11)4-13/h5-7H,1-3H3
InChIKeyRLWIORHZQDTPFC-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.83
Rot. Bonds2

About N-[1-(4-cyanopyrimidin-5-yl)-3-methylpyrazol-4-yl]-N-methylacetamide

N-[1-(4-cyanopyrimidin-5-yl)-3-methylpyrazol-4-yl]-N-methylacetamide (PubChem CID 160662567) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is N-[1-(4-cyanopyrimidin-5-yl)-3-methylpyrazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(4-cyanopyrimidin-5-yl)-3-methylpyrazol-4-yl]-N-methylacetamide
PubChem CID160662567
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC NameN-[1-(4-cyanopyrimidin-5-yl)-3-methylpyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cn(-c2cncnc2C#N)nc1C
InChIInChI=1S/C12H12N6O/c1-8-12(17(3)9(2)19)6-18(16-8)11-5-14-7-15-10(11)4-13/h5-7H,1-3H3
InChIKeyRLWIORHZQDTPFC-UHFFFAOYSA-N
XLogP0.83
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanopyrimidin-5-yl)-3-methylpyrazol-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-(4-cyanopyrimidin-5-yl)-3-methylpyrazol-4-yl]-N-methylacetamide (CID 160662567) is N-[1-(4-cyanopyrimidin-5-yl)-3-methylpyrazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(4-cyanopyrimidin-5-yl)-3-methylpyrazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(4-cyanopyrimidin-5-yl)-3-methylpyrazol-4-yl]-N-methylacetamide is CC(=O)N(C)c1cn(-c2cncnc2C#N)nc1C.
What is the InChIKey of N-[1-(4-cyanopyrimidin-5-yl)-3-methylpyrazol-4-yl]-N-methylacetamide?
The InChIKey is RLWIORHZQDTPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-8-12(17(3)9(2)19)6-18(16-8)11-5-14-7-15-10(11)4-13/h5-7H,1-3H3.
What are the key properties of N-[1-(4-cyanopyrimidin-5-yl)-3-methylpyrazol-4-yl]-N-methylacetamide?
N-[1-(4-cyanopyrimidin-5-yl)-3-methylpyrazol-4-yl]-N-methylacetamide has a molecular weight of 256.27 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanopyrimidin-5-yl)-3-methylpyrazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 160662567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).