N-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide

C18H21N5O — CID 50971928

IUPACN-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)NCc2nccn2Cc2ccccc2)c1C
InChIInChI=1S/C18H21N5O/c1-3-23-14(2)16(11-21-23)18(24)20-12-17-19-9-10-22(17)13-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3,(H,20,24)
InChIKeyZDOQRCCHAXQGIN-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.39
Rot. Bonds6

About N-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide

N-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide (PubChem CID 50971928) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide
PubChem CID50971928
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)NCc2nccn2Cc2ccccc2)c1C
InChIInChI=1S/C18H21N5O/c1-3-23-14(2)16(11-21-23)18(24)20-12-17-19-9-10-22(17)13-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3,(H,20,24)
InChIKeyZDOQRCCHAXQGIN-UHFFFAOYSA-N
XLogP2.39
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 71869773
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide
CID 119508720
1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea
CID 71867707
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119643220
N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119629878
2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 154880576
N-(3-aminobutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119498889
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119643219
N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide
CID 110025568
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 59854949

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide (CID 50971928) is N-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide is CCn1ncc(C(=O)NCc2nccn2Cc2ccccc2)c1C.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide?
The InChIKey is ZDOQRCCHAXQGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-23-14(2)16(11-21-23)18(24)20-12-17-19-9-10-22(17)13-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3,(H,20,24).
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide?
N-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 50971928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).