N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C14H14ClN3O — CID 110420482

IUPACN-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1n[nH]c2c1CCCC2
InChIInChI=1S/C14H14ClN3O/c15-10-6-2-4-8-12(10)16-14(19)13-9-5-1-3-7-11(9)17-18-13/h2,4,6,8H,1,3,5,7H2,(H,16,19)(H,17,18)
InChIKeyYIWDIUNYBLUYHO-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.19
Rot. Bonds2

About N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 110420482) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID110420482
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1n[nH]c2c1CCCC2
InChIInChI=1S/C14H14ClN3O/c15-10-6-2-4-8-12(10)16-14(19)13-9-5-1-3-7-11(9)17-18-13/h2,4,6,8H,1,3,5,7H2,(H,16,19)(H,17,18)
InChIKeyYIWDIUNYBLUYHO-UHFFFAOYSA-N
XLogP3.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388942
N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110423268
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
N-(5-chloroquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 167818575
N-[(2,6-dichlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 687582
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112822635
N-(2,3-dichlorophenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
CID 23938464
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 44667187
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 6869343
N-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46323290
N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 170232622
N-(3,5-dimethylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388886

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 110420482) is N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(Nc1ccccc1Cl)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is YIWDIUNYBLUYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-10-6-2-4-8-12(10)16-14(19)13-9-5-1-3-7-11(9)17-18-13/h2,4,6,8H,1,3,5,7H2,(H,16,19)(H,17,18).
What are the key properties of N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 110420482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).