5-ethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide

C16H19N5O — CID 39459014

IUPAC5-ethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCCn2c(C)nc3ccccc32)n[nH]1
InChIInChI=1S/C16H19N5O/c1-3-12-10-14(20-19-12)16(22)17-8-9-21-11(2)18-13-6-4-5-7-15(13)21/h4-7,10H,3,8-9H2,1-2H3,(H,17,22)(H,19,20)
InChIKeyDWXASUCJMLRXKL-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.06
Rot. Bonds5

About 5-ethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide

5-ethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 39459014) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-ethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID39459014
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name5-ethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCCn2c(C)nc3ccccc32)n[nH]1
InChIInChI=1S/C16H19N5O/c1-3-12-10-14(20-19-12)16(22)17-8-9-21-11(2)18-13-6-4-5-7-15(13)21/h4-7,10H,3,8-9H2,1-2H3,(H,17,22)(H,19,20)
InChIKeyDWXASUCJMLRXKL-UHFFFAOYSA-N
XLogP2.06
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 78862508
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 37263896
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 122141115
2-hydroxy-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 31848598
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-indole-3-carboxamide
CID 25393465
methyl 6-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]pyridine-3-carboxylate
CID 33440660
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 40716416
3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 112832627
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-(methylsulfamoyl)benzamide
CID 35800173
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide
CID 37210944

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 39459014) is 5-ethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)NCCn2c(C)nc3ccccc32)n[nH]1.
What is the InChIKey of 5-ethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is DWXASUCJMLRXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-3-12-10-14(20-19-12)16(22)17-8-9-21-11(2)18-13-6-4-5-7-15(13)21/h4-7,10H,3,8-9H2,1-2H3,(H,17,22)(H,19,20).
What are the key properties of 5-ethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-ethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 39459014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).