1-ethyl-5-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazole-4-carboxamide

C15H23N5O — CID 50948174

IUPAC1-ethyl-5-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)NCc2cncn2CC(C)C)c1C
InChIInChI=1S/C15H23N5O/c1-5-20-12(4)14(8-18-20)15(21)17-7-13-6-16-10-19(13)9-11(2)3/h6,8,10-11H,5,7,9H2,1-4H3,(H,17,21)
InChIKeyHWHYQJUCZTYFDV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.99
Rot. Bonds6

About 1-ethyl-5-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazole-4-carboxamide

1-ethyl-5-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazole-4-carboxamide (PubChem CID 50948174) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazole-4-carboxamide
PubChem CID50948174
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-ethyl-5-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)NCc2cncn2CC(C)C)c1C
InChIInChI=1S/C15H23N5O/c1-5-20-12(4)14(8-18-20)15(21)17-7-13-6-16-10-19(13)9-11(2)3/h6,8,10-11H,5,7,9H2,1-4H3,(H,17,21)
InChIKeyHWHYQJUCZTYFDV-UHFFFAOYSA-N
XLogP1.99
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-5-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazole-4-carboxamide (CID 50948174) is 1-ethyl-5-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-5-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-5-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazole-4-carboxamide is CCn1ncc(C(=O)NCc2cncn2CC(C)C)c1C.
What is the InChIKey of 1-ethyl-5-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is HWHYQJUCZTYFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-5-20-12(4)14(8-18-20)15(21)17-7-13-6-16-10-19(13)9-11(2)3/h6,8,10-11H,5,7,9H2,1-4H3,(H,17,21).
What are the key properties of 1-ethyl-5-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazole-4-carboxamide?
1-ethyl-5-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 50948174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).