N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide

C15H24N6O — CID 86786585

IUPACN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)Cn1cc(C(=O)NCc2cnc(N(C)C)n2C)cn1
InChIInChI=1S/C15H24N6O/c1-11(2)9-21-10-12(6-18-21)14(22)16-7-13-8-17-15(19(3)4)20(13)5/h6,8,10-11H,7,9H2,1-5H3,(H,16,22)
InChIKeyWJNLIRUKJXHLHP-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.27
Rot. Bonds6

About N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide

N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 86786585) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID86786585
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC NameN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)Cn1cc(C(=O)NCc2cnc(N(C)C)n2C)cn1
InChIInChI=1S/C15H24N6O/c1-11(2)9-21-10-12(6-18-21)14(22)16-7-13-8-17-15(19(3)4)20(13)5/h6,8,10-11H,7,9H2,1-5H3,(H,16,22)
InChIKeyWJNLIRUKJXHLHP-UHFFFAOYSA-N
XLogP1.27
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 86786585) is N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide is CC(C)Cn1cc(C(=O)NCc2cnc(N(C)C)n2C)cn1.
What is the InChIKey of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is WJNLIRUKJXHLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-11(2)9-21-10-12(6-18-21)14(22)16-7-13-8-17-15(19(3)4)20(13)5/h6,8,10-11H,7,9H2,1-5H3,(H,16,22).
What are the key properties of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 86786585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).