N-butyl-2-ethyl-N-(1H-imidazol-5-ylmethyl)-5-methylpyrazole-3-carboxamide

C15H23N5O — CID 42796291

IUPACN-butyl-2-ethyl-N-(1H-imidazol-5-ylmethyl)-5-methylpyrazole-3-carboxamide
SMILESCCCCN(Cc1cnc[nH]1)C(=O)c1cc(C)nn1CC
InChIInChI=1S/C15H23N5O/c1-4-6-7-19(10-13-9-16-11-17-13)15(21)14-8-12(3)18-20(14)5-2/h8-9,11H,4-7,10H2,1-3H3,(H,16,17)
InChIKeyXZVVBECZIRHCLB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.38
Rot. Bonds7

About N-butyl-2-ethyl-N-(1H-imidazol-5-ylmethyl)-5-methylpyrazole-3-carboxamide

N-butyl-2-ethyl-N-(1H-imidazol-5-ylmethyl)-5-methylpyrazole-3-carboxamide (PubChem CID 42796291) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-butyl-2-ethyl-N-(1H-imidazol-5-ylmethyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-ethyl-N-(1H-imidazol-5-ylmethyl)-5-methylpyrazole-3-carboxamide
PubChem CID42796291
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-butyl-2-ethyl-N-(1H-imidazol-5-ylmethyl)-5-methylpyrazole-3-carboxamide
SMILESCCCCN(Cc1cnc[nH]1)C(=O)c1cc(C)nn1CC
InChIInChI=1S/C15H23N5O/c1-4-6-7-19(10-13-9-16-11-17-13)15(21)14-8-12(3)18-20(14)5-2/h8-9,11H,4-7,10H2,1-3H3,(H,16,17)
InChIKeyXZVVBECZIRHCLB-UHFFFAOYSA-N
XLogP2.38
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-ethyl-N-(1H-imidazol-5-ylmethyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-butyl-2-ethyl-N-(1H-imidazol-5-ylmethyl)-5-methylpyrazole-3-carboxamide (CID 42796291) is N-butyl-2-ethyl-N-(1H-imidazol-5-ylmethyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-butyl-2-ethyl-N-(1H-imidazol-5-ylmethyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-butyl-2-ethyl-N-(1H-imidazol-5-ylmethyl)-5-methylpyrazole-3-carboxamide is CCCCN(Cc1cnc[nH]1)C(=O)c1cc(C)nn1CC.
What is the InChIKey of N-butyl-2-ethyl-N-(1H-imidazol-5-ylmethyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is XZVVBECZIRHCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-6-7-19(10-13-9-16-11-17-13)15(21)14-8-12(3)18-20(14)5-2/h8-9,11H,4-7,10H2,1-3H3,(H,16,17).
What are the key properties of N-butyl-2-ethyl-N-(1H-imidazol-5-ylmethyl)-5-methylpyrazole-3-carboxamide?
N-butyl-2-ethyl-N-(1H-imidazol-5-ylmethyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethyl-N-(1H-imidazol-5-ylmethyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 42796291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).