2-(3-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid

C15H22N2O2 — CID 82591682

IUPAC2-(3-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
SMILESO=C(O)CC1CCCc2[nH]nc(C3CCCCC3)c21
InChIInChI=1S/C15H22N2O2/c18-13(19)9-11-7-4-8-12-14(11)15(17-16-12)10-5-2-1-3-6-10/h10-11H,1-9H2,(H,16,17)(H,18,19)
InChIKeyAPWMNUXTQMYWCB-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.35
Rot. Bonds3

About 2-(3-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid

2-(3-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid (PubChem CID 82591682) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(3-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
PubChem CID82591682
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(3-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
SMILESO=C(O)CC1CCCc2[nH]nc(C3CCCCC3)c21
InChIInChI=1S/C15H22N2O2/c18-13(19)9-11-7-4-8-12-14(11)15(17-16-12)10-5-2-1-3-6-10/h10-11H,1-9H2,(H,16,17)(H,18,19)
InChIKeyAPWMNUXTQMYWCB-UHFFFAOYSA-N
XLogP3.35
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,5,6,7-tetrahydro-2H-indazol-3-yl)propanoic acid
CID 6483899
3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid
CID 23005990
2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 21258059
3-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 73357524
2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
CID 82409116
3-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid hydrochloride
CID 177800146
[3-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid
CID 3161842
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 71756824
2-[3-(Trifluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid
CID 71184893
2-[4,4-difluoro-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-1H-cyclopropa[g]indazol-5-yl]acetic acid
CID 71185029
Ethyl 2-[3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetate
CID 71185095
2-[3-(Difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid
CID 71185413

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid?
The IUPAC name of 2-(3-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid (CID 82591682) is 2-(3-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid is O=C(O)CC1CCCc2[nH]nc(C3CCCCC3)c21.
What is the InChIKey of 2-(3-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid?
The InChIKey is APWMNUXTQMYWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-13(19)9-11-7-4-8-12-14(11)15(17-16-12)10-5-2-1-3-6-10/h10-11H,1-9H2,(H,16,17)(H,18,19).
What are the key properties of 2-(3-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid?
2-(3-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid has a molecular weight of 262.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid is sourced from PubChem (CID 82591682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).