(4R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine

C24H33N5O — CID 42514602

IUPAC(4R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
SMILESCCn1nc(C)c(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(OC)cc2)c1C
InChIInChI=1S/C24H33N5O/c1-7-28-17(3)20(16(2)27-28)14-25-22-12-24(4,5)13-23-21(22)15-26-29(23)18-8-10-19(30-6)11-9-18/h8-11,15,22,25H,7,12-14H2,1-6H3/t22-/m1/s1
InChIKeyQXWDSMAFJUCGBZ-JOCHJYFZSA-N
MW407.56 g/mol
LogP4.52
Rot. Bonds6

About (4R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine

(4R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine (PubChem CID 42514602) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is (4R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine.

Molecular Properties

Compound Name(4R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
PubChem CID42514602
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name(4R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
SMILESCCn1nc(C)c(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(OC)cc2)c1C
InChIInChI=1S/C24H33N5O/c1-7-28-17(3)20(16(2)27-28)14-25-22-12-24(4,5)13-23-21(22)15-26-29(23)18-8-10-19(30-6)11-9-18/h8-11,15,22,25H,7,12-14H2,1-6H3/t22-/m1/s1
InChIKeyQXWDSMAFJUCGBZ-JOCHJYFZSA-N
XLogP4.52
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
CID 26390947
N-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine
CID 45176650
[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]azanium
CID 7200946
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]propanamide
CID 51494447
6,6-dimethyl-1-(4-methylphenyl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]-5,7-dihydro-4H-indazol-4-amine
CID 45170289
N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-1,2,5-thiadiazole-3-carboxamide
CID 42113242
N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 42428692
2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 25461195
N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 25366356
4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol
CID 45195645
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 46959442
N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 51494518

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine?
The IUPAC name of (4R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine (CID 42514602) is (4R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine.
What is the SMILES notation for (4R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine?
The canonical SMILES for (4R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine is CCn1nc(C)c(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(OC)cc2)c1C.
What is the InChIKey of (4R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine?
The InChIKey is QXWDSMAFJUCGBZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H33N5O/c1-7-28-17(3)20(16(2)27-28)14-25-22-12-24(4,5)13-23-21(22)15-26-29(23)18-8-10-19(30-6)11-9-18/h8-11,15,22,25H,7,12-14H2,1-6H3/t22-/m1/s1.
What are the key properties of (4R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine?
(4R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine has a molecular weight of 407.56 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine is sourced from PubChem (CID 42514602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).