N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine

C18H24N4O — CID 136769186

IUPACN-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCOc1ccccc1C1(CNC[C@H]2CNc3ccnn3C2)CC1
InChIInChI=1S/C18H24N4O/c1-23-16-5-3-2-4-15(16)18(7-8-18)13-19-10-14-11-20-17-6-9-21-22(17)12-14/h2-6,9,14,19-20H,7-8,10-13H2,1H3/t14-/m0/s1
InChIKeyZDFNFJMGKFPHAA-AWEZNQCLSA-N
MW312.42 g/mol
LogP2.25
Rot. Bonds6

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

N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine (PubChem CID 136769186) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
PubChem CID136769186
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCOc1ccccc1C1(CNC[C@H]2CNc3ccnn3C2)CC1
InChIInChI=1S/C18H24N4O/c1-23-16-5-3-2-4-15(16)18(7-8-18)13-19-10-14-11-20-17-6-9-21-22(17)12-14/h2-6,9,14,19-20H,7-8,10-13H2,1H3/t14-/m0/s1
InChIKeyZDFNFJMGKFPHAA-AWEZNQCLSA-N
XLogP2.25
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The IUPAC name of N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine (CID 136769186) is N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine is COc1ccccc1C1(CNC[C@H]2CNc3ccnn3C2)CC1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The InChIKey is ZDFNFJMGKFPHAA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O/c1-23-16-5-3-2-4-15(16)18(7-8-18)13-19-10-14-11-20-17-6-9-21-22(17)12-14/h2-6,9,14,19-20H,7-8,10-13H2,1H3/t14-/m0/s1.
What are the key properties of N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine has a molecular weight of 312.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 136769186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).