N-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide

C22H23N5O — CID 55569976

IUPACN-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCn2cnc3ccccc32)cnn1-c1ccccc1
InChIInChI=1S/C22H23N5O/c1-2-20-18(15-25-27(20)17-9-4-3-5-10-17)22(28)23-13-8-14-26-16-24-19-11-6-7-12-21(19)26/h3-7,9-12,15-16H,2,8,13-14H2,1H3,(H,23,28)
InChIKeyJSKQYAWLNMXLNJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.60
Rot. Bonds7

About N-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide

N-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 55569976) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
PubChem CID55569976
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCn2cnc3ccccc32)cnn1-c1ccccc1
InChIInChI=1S/C22H23N5O/c1-2-20-18(15-25-27(20)17-9-4-3-5-10-17)22(28)23-13-8-14-26-16-24-19-11-6-7-12-21(19)26/h3-7,9-12,15-16H,2,8,13-14H2,1H3,(H,23,28)
InChIKeyJSKQYAWLNMXLNJ-UHFFFAOYSA-N
XLogP3.60
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide
CID 60545454
N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
tert-butyl 4-[3-[(5-ethyl-1-phenylpyrazole-4-carbonyl)amino]propyl]piperazine-1-carboxylate
CID 55866016
N-[3-(benzimidazol-1-yl)propyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55408128
N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide
CID 17499528
5-ethyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 46577228
N-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55946238
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 119352538
4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide
CID 17486518
5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78854292

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide (CID 55569976) is N-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide is CCc1c(C(=O)NCCCn2cnc3ccccc32)cnn1-c1ccccc1.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is JSKQYAWLNMXLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-2-20-18(15-25-27(20)17-9-4-3-5-10-17)22(28)23-13-8-14-26-16-24-19-11-6-7-12-21(19)26/h3-7,9-12,15-16H,2,8,13-14H2,1H3,(H,23,28).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
N-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 55569976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).