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

C10H14N2O2 — CID 82591673

IUPAC2-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl)acetic acid
SMILESCc1[nH]nc2c1C(CC(=O)O)CCC2
InChIInChI=1S/C10H14N2O2/c1-6-10-7(5-9(13)14)3-2-4-8(10)12-11-6/h7H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyFBJUVRKOECVWFP-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.61
Rot. Bonds2

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

2-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl)acetic acid (PubChem CID 82591673) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl)acetic acid
PubChem CID82591673
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl)acetic acid
SMILESCc1[nH]nc2c1C(CC(=O)O)CCC2
InChIInChI=1S/C10H14N2O2/c1-6-10-7(5-9(13)14)3-2-4-8(10)12-11-6/h7H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyFBJUVRKOECVWFP-UHFFFAOYSA-N
XLogP1.61
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 776058
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-(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-(Trifluoromethyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-4-yl]acetic acid
CID 71185301

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl)acetic acid?
The IUPAC name of 2-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl)acetic acid (CID 82591673) is 2-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl)acetic acid is Cc1[nH]nc2c1C(CC(=O)O)CCC2.
What is the InChIKey of 2-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl)acetic acid?
The InChIKey is FBJUVRKOECVWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-10-7(5-9(13)14)3-2-4-8(10)12-11-6/h7H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl)acetic acid?
2-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl)acetic acid has a molecular weight of 194.23 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl)acetic acid is sourced from PubChem (CID 82591673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).