1-ethyl-N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrole-2-carboxamide

C20H22N4O — CID 167825607

IUPAC1-ethyl-N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)NC1CCCc2c1cnn2-c1ccccc1
InChIInChI=1S/C20H22N4O/c1-2-23-13-7-12-19(23)20(25)22-17-10-6-11-18-16(17)14-21-24(18)15-8-4-3-5-9-15/h3-5,7-9,12-14,17H,2,6,10-11H2,1H3,(H,22,25)
InChIKeyAGCAZRXWCDYYHR-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.50
Rot. Bonds4

About 1-ethyl-N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrole-2-carboxamide

1-ethyl-N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrole-2-carboxamide (PubChem CID 167825607) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-ethyl-N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrole-2-carboxamide
PubChem CID167825607
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-ethyl-N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)NC1CCCc2c1cnn2-c1ccccc1
InChIInChI=1S/C20H22N4O/c1-2-23-13-7-12-19(23)20(25)22-17-10-6-11-18-16(17)14-21-24(18)15-8-4-3-5-9-15/h3-5,7-9,12-14,17H,2,6,10-11H2,1H3,(H,22,25)
InChIKeyAGCAZRXWCDYYHR-UHFFFAOYSA-N
XLogP3.50
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 166631798
1-ethyl-N-[(4R)-1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384971
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 51966933
2,5-dimethyl-N-[(4R)-1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384821
1-ethyl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384965
1-ethyl-3-propan-2-yl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
CID 97118953
3-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,1-diethylurea
CID 97123460
N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide
CID 97134645
N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide
CID 42359157
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide
CID 97140880
N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide
CID 25461233
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 24817447

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrole-2-carboxamide (CID 167825607) is 1-ethyl-N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrole-2-carboxamide is CCn1cccc1C(=O)NC1CCCc2c1cnn2-c1ccccc1.
What is the InChIKey of 1-ethyl-N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrole-2-carboxamide?
The InChIKey is AGCAZRXWCDYYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-23-13-7-12-19(23)20(25)22-17-10-6-11-18-16(17)14-21-24(18)15-8-4-3-5-9-15/h3-5,7-9,12-14,17H,2,6,10-11H2,1H3,(H,22,25).
What are the key properties of 1-ethyl-N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrole-2-carboxamide?
1-ethyl-N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrole-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 167825607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).