(4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

C12H18N2O2 — CID 7309598

IUPAC(4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESCC(C)[C@@H]1CC[C@@H](C)c2c(C(=O)O)n[nH]c21
InChIInChI=1S/C12H18N2O2/c1-6(2)8-5-4-7(3)9-10(8)13-14-11(9)12(15)16/h6-8H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t7-,8+/m1/s1
InChIKeyNEANYZXFQVEEKG-SFYZADRCSA-N
MW222.29 g/mol
LogP2.74
Rot. Bonds2

About (4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

(4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (PubChem CID 7309598) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name(4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
PubChem CID7309598
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESCC(C)[C@@H]1CC[C@@H](C)c2c(C(=O)O)n[nH]c21
InChIInChI=1S/C12H18N2O2/c1-6(2)8-5-4-7(3)9-10(8)13-14-11(9)12(15)16/h6-8H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t7-,8+/m1/s1
InChIKeyNEANYZXFQVEEKG-SFYZADRCSA-N
XLogP2.74
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid with MolForge

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Related Compounds

MK-1903
CID 49763030
4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid
CID 648852
5-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 655114
5-Ethyl-4-methyl-1H-pyrazole-3-carboxylic acid
CID 3159638
1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid
CID 655343
8,9-Diazatricyclo[4.3.0.0(2)]nona-1(6),7-diene-7-carboxylic acid
CID 11607970
5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 3240332
Spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,1'-cyclopentane]-7-carboxylic acid
CID 11514051
(2R,3S,4S)-3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
CID 57412214
(2R,3R,4S)-3-ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
CID 57412216
(2R,3S,4S)-3-prop-2-enyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
CID 57412300
(2R,3R,4S)-3-(cyclopropylmethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
CID 57412301

Frequently Asked Questions

What is the IUPAC name of (4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The IUPAC name of (4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (CID 7309598) is (4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.
What is the SMILES notation for (4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The canonical SMILES for (4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is CC(C)[C@@H]1CC[C@@H](C)c2c(C(=O)O)n[nH]c21.
What is the InChIKey of (4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The InChIKey is NEANYZXFQVEEKG-SFYZADRCSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-6(2)8-5-4-7(3)9-10(8)13-14-11(9)12(15)16/h6-8H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t7-,8+/m1/s1.
What are the key properties of (4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
(4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 7309598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).