1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C20H20N4O — CID 110374242

IUPAC1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESO=C(NCc1cccnc1)c1nn(-c2ccccc2)c2c1CCCC2
InChIInChI=1S/C20H20N4O/c25-20(22-14-15-7-6-12-21-13-15)19-17-10-4-5-11-18(17)24(23-19)16-8-2-1-3-9-16/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,22,25)
InChIKeyBPDNMTOTTRBASI-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.08
Rot. Bonds4

About 1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 110374242) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID110374242
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESO=C(NCc1cccnc1)c1nn(-c2ccccc2)c2c1CCCC2
InChIInChI=1S/C20H20N4O/c25-20(22-14-15-7-6-12-21-13-15)19-17-10-4-5-11-18(17)24(23-19)16-8-2-1-3-9-16/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,22,25)
InChIKeyBPDNMTOTTRBASI-UHFFFAOYSA-N
XLogP3.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17492126
2-[(1-phenyl-4,5,6,7-tetrahydroindazole-3-carbonyl)amino]acetic acid
CID 175587571
1-(4-methylphenyl)-N-(2-pyridin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 37030789
N-[(4-methylsulfonylphenyl)methyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 60511744
N-[(2-methoxy-4-pyridinyl)methyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55775483
N-(2-hydroxyethyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 78888197
N-[[3-(diethylaminomethyl)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55768386
1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110527620
1-phenyl-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374225
1-phenyl-N'-(pyrazine-2-carbonyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 24618570
N'-benzoyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46682483
N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30098859

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 110374242) is 1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is O=C(NCc1cccnc1)c1nn(-c2ccccc2)c2c1CCCC2.
What is the InChIKey of 1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is BPDNMTOTTRBASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(22-14-15-7-6-12-21-13-15)19-17-10-4-5-11-18(17)24(23-19)16-8-2-1-3-9-16/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,22,25).
What are the key properties of 1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 110374242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).