4-butyl-5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxamide

C18H20N6O — CID 175246277

IUPAC4-butyl-5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxamide
SMILESCCCCc1c(C(N)=O)nn(-c2ncccn2)c1-c1ccc(C)cn1
InChIInChI=1S/C18H20N6O/c1-3-4-6-13-15(17(19)25)23-24(18-20-9-5-10-21-18)16(13)14-8-7-12(2)11-22-14/h5,7-11H,3-4,6H2,1-2H3,(H2,19,25)
InChIKeyPOKVXZFHNQJXSV-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.47
Rot. Bonds6

About 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxamide

4-butyl-5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxamide (PubChem CID 175246277) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-butyl-5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxamide
PubChem CID175246277
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name4-butyl-5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxamide
SMILESCCCCc1c(C(N)=O)nn(-c2ncccn2)c1-c1ccc(C)cn1
InChIInChI=1S/C18H20N6O/c1-3-4-6-13-15(17(19)25)23-24(18-20-9-5-10-21-18)16(13)14-8-7-12(2)11-22-14/h5,7-11H,3-4,6H2,1-2H3,(H2,19,25)
InChIKeyPOKVXZFHNQJXSV-UHFFFAOYSA-N
XLogP2.47
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxamide?
The IUPAC name of 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxamide (CID 175246277) is 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxamide is CCCCc1c(C(N)=O)nn(-c2ncccn2)c1-c1ccc(C)cn1.
What is the InChIKey of 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxamide?
The InChIKey is POKVXZFHNQJXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-3-4-6-13-15(17(19)25)23-24(18-20-9-5-10-21-18)16(13)14-8-7-12(2)11-22-14/h5,7-11H,3-4,6H2,1-2H3,(H2,19,25).
What are the key properties of 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxamide?
4-butyl-5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 175246277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).