(1S)-1-cyclopropyl-1-(3-methoxyphenyl)-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanamine

C20H27N3O — CID 164638144

IUPAC(1S)-1-cyclopropyl-1-(3-methoxyphenyl)-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanamine
SMILESCOc1cccc([C@@H](NCc2c3c(nn2C)CCCC3)C2CC2)c1
InChIInChI=1S/C20H27N3O/c1-23-19(17-8-3-4-9-18(17)22-23)13-21-20(14-10-11-14)15-6-5-7-16(12-15)24-2/h5-7,12,14,20-21H,3-4,8-11,13H2,1-2H3/t20-/m0/s1
InChIKeyQXMREKBLPPKCSS-FQEVSTJZSA-N
MW325.46 g/mol
LogP3.55
Rot. Bonds6

About (1S)-1-cyclopropyl-1-(3-methoxyphenyl)-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanamine

(1S)-1-cyclopropyl-1-(3-methoxyphenyl)-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanamine (PubChem CID 164638144) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is (1S)-1-cyclopropyl-1-(3-methoxyphenyl)-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name(1S)-1-cyclopropyl-1-(3-methoxyphenyl)-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanamine
PubChem CID164638144
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name(1S)-1-cyclopropyl-1-(3-methoxyphenyl)-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanamine
SMILESCOc1cccc([C@@H](NCc2c3c(nn2C)CCCC3)C2CC2)c1
InChIInChI=1S/C20H27N3O/c1-23-19(17-8-3-4-9-18(17)22-23)13-21-20(14-10-11-14)15-6-5-7-16(12-15)24-2/h5-7,12,14,20-21H,3-4,8-11,13H2,1-2H3/t20-/m0/s1
InChIKeyQXMREKBLPPKCSS-FQEVSTJZSA-N
XLogP3.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-cyclopropyl-1-(3-methoxyphenyl)-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanamine 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

(2S,3S)-N-[[2-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 10621261
US11576897, Example 295
CID 66664957
US11576897, Example 293
CID 66665530
US10183913, Example 330
CID 66665535
US11576897, Example 303
CID 66665587
US11576897, Example 300
CID 135230558
N-[(3-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309499
N-benzyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706778
N-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706784
N-benzyl-2-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706956
3-(2-Fluorophenyl)-2-[(3-methoxyphenyl)methyl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 168296108
US10183913, Example 342
CID 66665156

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopropyl-1-(3-methoxyphenyl)-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanamine?
The IUPAC name of (1S)-1-cyclopropyl-1-(3-methoxyphenyl)-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanamine (CID 164638144) is (1S)-1-cyclopropyl-1-(3-methoxyphenyl)-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanamine.
What is the SMILES notation for (1S)-1-cyclopropyl-1-(3-methoxyphenyl)-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanamine?
The canonical SMILES for (1S)-1-cyclopropyl-1-(3-methoxyphenyl)-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanamine is COc1cccc([C@@H](NCc2c3c(nn2C)CCCC3)C2CC2)c1.
What is the InChIKey of (1S)-1-cyclopropyl-1-(3-methoxyphenyl)-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanamine?
The InChIKey is QXMREKBLPPKCSS-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27N3O/c1-23-19(17-8-3-4-9-18(17)22-23)13-21-20(14-10-11-14)15-6-5-7-16(12-15)24-2/h5-7,12,14,20-21H,3-4,8-11,13H2,1-2H3/t20-/m0/s1.
What are the key properties of (1S)-1-cyclopropyl-1-(3-methoxyphenyl)-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanamine?
(1S)-1-cyclopropyl-1-(3-methoxyphenyl)-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanamine has a molecular weight of 325.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopropyl-1-(3-methoxyphenyl)-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanamine is sourced from PubChem (CID 164638144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).