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

C17H21ClN2 — CID 852854

IUPAC(4R,7R)-3-(4-chlorophenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
SMILESCC(C)[C@H]1CC[C@@H](C)c2c(-c3ccc(Cl)cc3)n[nH]c21
InChIInChI=1S/C17H21ClN2/c1-10(2)14-9-4-11(3)15-16(19-20-17(14)15)12-5-7-13(18)8-6-12/h5-8,10-11,14H,4,9H2,1-3H3,(H,19,20)/t11-,14-/m1/s1
InChIKeyWLSAUEVETPUDTR-BXUZGUMPSA-N
MW288.82 g/mol
LogP5.37
Rot. Bonds2

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

(4R,7R)-3-(4-chlorophenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 852854) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is (4R,7R)-3-(4-chlorophenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name(4R,7R)-3-(4-chlorophenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
PubChem CID852854
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name(4R,7R)-3-(4-chlorophenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
SMILESCC(C)[C@H]1CC[C@@H](C)c2c(-c3ccc(Cl)cc3)n[nH]c21
InChIInChI=1S/C17H21ClN2/c1-10(2)14-9-4-11(3)15-16(19-20-17(14)15)12-5-7-13(18)8-6-12/h5-8,10-11,14H,4,9H2,1-3H3,(H,19,20)/t11-,14-/m1/s1
InChIKeyWLSAUEVETPUDTR-BXUZGUMPSA-N
XLogP5.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.82
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,7S)-3-(4-bromophenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 852812
ethyl (4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CID 6950091
4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-methylpiperidin-2-one
CID 22953866
(2S)-1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;hydrochloride
CID 70209192
4-[3-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine
CID 22037702
5-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-propan-2-ylpiperidin-2-one
CID 22953930
3,4-bis(4-chlorophenyl)-5-cyclopentyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857729
2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-methylmorpholine
CID 22037209
4-(4-chlorophenyl)-5-cyclopentyl-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856670
1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 10024629
3-(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857394
3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857767

Frequently Asked Questions

What is the IUPAC name of (4R,7R)-3-(4-chlorophenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of (4R,7R)-3-(4-chlorophenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole (CID 852854) is (4R,7R)-3-(4-chlorophenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for (4R,7R)-3-(4-chlorophenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for (4R,7R)-3-(4-chlorophenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole is CC(C)[C@H]1CC[C@@H](C)c2c(-c3ccc(Cl)cc3)n[nH]c21.
What is the InChIKey of (4R,7R)-3-(4-chlorophenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is WLSAUEVETPUDTR-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-10(2)14-9-4-11(3)15-16(19-20-17(14)15)12-5-7-13(18)8-6-12/h5-8,10-11,14H,4,9H2,1-3H3,(H,19,20)/t11-,14-/m1/s1.
What are the key properties of (4R,7R)-3-(4-chlorophenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?
(4R,7R)-3-(4-chlorophenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 288.82 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R)-3-(4-chlorophenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 852854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).