(1R)-4-[2,6-dimethyl-4-(2-methylpyrazol-3-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine

C21H22FN3 — CID 126702395

IUPAC(1R)-4-[2,6-dimethyl-4-(2-methylpyrazol-3-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCc1cc(-c2ccnn2C)cc(C)c1-c1ccc(F)c2c1CC[C@H]2N
InChIInChI=1S/C21H22FN3/c1-12-10-14(19-8-9-24-25(19)3)11-13(2)20(12)15-4-6-17(22)21-16(15)5-7-18(21)23/h4,6,8-11,18H,5,7,23H2,1-3H3/t18-/m1/s1
InChIKeyCRWWOEAHYXZDIQ-GOSISDBHSA-N
MW335.43 g/mol
LogP4.46
Rot. Bonds2

About (1R)-4-[2,6-dimethyl-4-(2-methylpyrazol-3-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine

(1R)-4-[2,6-dimethyl-4-(2-methylpyrazol-3-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 126702395) has the molecular formula C21H22FN3 and a molecular weight of 335.43 g/mol. Its IUPAC name is (1R)-4-[2,6-dimethyl-4-(2-methylpyrazol-3-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-4-[2,6-dimethyl-4-(2-methylpyrazol-3-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID126702395
Molecular FormulaC21H22FN3
Molecular Weight335.43 g/mol
Exact Mass335.18
IUPAC Name(1R)-4-[2,6-dimethyl-4-(2-methylpyrazol-3-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCc1cc(-c2ccnn2C)cc(C)c1-c1ccc(F)c2c1CC[C@H]2N
InChIInChI=1S/C21H22FN3/c1-12-10-14(19-8-9-24-25(19)3)11-13(2)20(12)15-4-6-17(22)21-16(15)5-7-18(21)23/h4,6,8-11,18H,5,7,23H2,1-3H3/t18-/m1/s1
InChIKeyCRWWOEAHYXZDIQ-GOSISDBHSA-N
XLogP4.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-4-[2,6-dimethyl-4-(2-methylpyrazol-3-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine 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

Pyrazole-based inhibitor, 2b
CID 90967078
(NE)-N-[5-[1-(3-aminopropyl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 11660270
Pyrazole-based inhibitor, 2a
CID 91896020
Pyrazole-based inhibitor, 3
CID 91896021
3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}propan-1-amine
CID 91896033
3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}-N-methylcyclohexan-1-amine
CID 91896040
(NE)-N-[5-[1-[3-(methylamino)cyclohexyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 44587235
2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethan-1-amine
CID 91896031
Pyrazole-based inhibitor, 25
CID 91896042
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}cyclopropanamine
CID 16190090
N-[[1-(2,4-difluorophenyl)-3-(o-tolyl)pyrazol-4-yl]methyl]-N',N'-dimethyl-propane-1,3-diamine
CID 16187217
3-(4-fluorophenyl)-4-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
CID 57391778

Frequently Asked Questions

What is the IUPAC name of (1R)-4-[2,6-dimethyl-4-(2-methylpyrazol-3-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-4-[2,6-dimethyl-4-(2-methylpyrazol-3-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine (CID 126702395) is (1R)-4-[2,6-dimethyl-4-(2-methylpyrazol-3-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-4-[2,6-dimethyl-4-(2-methylpyrazol-3-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-4-[2,6-dimethyl-4-(2-methylpyrazol-3-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine is Cc1cc(-c2ccnn2C)cc(C)c1-c1ccc(F)c2c1CC[C@H]2N.
What is the InChIKey of (1R)-4-[2,6-dimethyl-4-(2-methylpyrazol-3-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CRWWOEAHYXZDIQ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22FN3/c1-12-10-14(19-8-9-24-25(19)3)11-13(2)20(12)15-4-6-17(22)21-16(15)5-7-18(21)23/h4,6,8-11,18H,5,7,23H2,1-3H3/t18-/m1/s1.
What are the key properties of (1R)-4-[2,6-dimethyl-4-(2-methylpyrazol-3-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine?
(1R)-4-[2,6-dimethyl-4-(2-methylpyrazol-3-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 335.43 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-[2,6-dimethyl-4-(2-methylpyrazol-3-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 126702395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).