3-ethyl-N-(1H-imidazol-2-ylmethyl)-1-methylpyrazole-4-carboxamide

C11H15N5O — CID 113347486

IUPAC3-ethyl-N-(1H-imidazol-2-ylmethyl)-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C11H15N5O/c1-3-9-8(7-16(2)15-9)11(17)14-6-10-12-4-5-13-10/h4-5,7H,3,6H2,1-2H3,(H,12,13)(H,14,17)
InChIKeySTDMGNUEWBVKPW-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.64
Rot. Bonds4

About 3-ethyl-N-(1H-imidazol-2-ylmethyl)-1-methylpyrazole-4-carboxamide

3-ethyl-N-(1H-imidazol-2-ylmethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 113347486) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-ethyl-N-(1H-imidazol-2-ylmethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1H-imidazol-2-ylmethyl)-1-methylpyrazole-4-carboxamide
PubChem CID113347486
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name3-ethyl-N-(1H-imidazol-2-ylmethyl)-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C11H15N5O/c1-3-9-8(7-16(2)15-9)11(17)14-6-10-12-4-5-13-10/h4-5,7H,3,6H2,1-2H3,(H,12,13)(H,14,17)
InChIKeySTDMGNUEWBVKPW-UHFFFAOYSA-N
XLogP0.64
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-(1H-imidazol-2-ylmethyl)-N,1-dimethylpyrazole-4-carboxamide
CID 113347479
3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 107231636
N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810778
N-[[4-(2-aminoethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810942
3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 102810944
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811310
N-[[3-(bromomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811324
3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide
CID 103919211
(2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833163
N-[(E)-4-chlorobut-2-enyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810780
3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide
CID 103894225
3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide
CID 102810885

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1H-imidazol-2-ylmethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-(1H-imidazol-2-ylmethyl)-1-methylpyrazole-4-carboxamide (CID 113347486) is 3-ethyl-N-(1H-imidazol-2-ylmethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1H-imidazol-2-ylmethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(1H-imidazol-2-ylmethyl)-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)NCc1ncc[nH]1.
What is the InChIKey of 3-ethyl-N-(1H-imidazol-2-ylmethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is STDMGNUEWBVKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-9-8(7-16(2)15-9)11(17)14-6-10-12-4-5-13-10/h4-5,7H,3,6H2,1-2H3,(H,12,13)(H,14,17).
What are the key properties of 3-ethyl-N-(1H-imidazol-2-ylmethyl)-1-methylpyrazole-4-carboxamide?
3-ethyl-N-(1H-imidazol-2-ylmethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1H-imidazol-2-ylmethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 113347486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).