(1R)-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine

C18H24N6 — CID 124851771

IUPAC(1R)-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCC(C)n1cnnc1CN(C)[C@H](C)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H24N6/c1-13(2)24-12-19-22-18(24)11-23(4)14(3)16-10-17(21-20-16)15-8-6-5-7-9-15/h5-10,12-14H,11H2,1-4H3,(H,20,21)/t14-/m1/s1
InChIKeySWWHRWXCXVPHDZ-CQSZACIVSA-N
MW324.43 g/mol
LogP3.44
Rot. Bonds6

About (1R)-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine

(1R)-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 124851771) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is (1R)-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID124851771
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name(1R)-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCC(C)n1cnnc1CN(C)[C@H](C)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H24N6/c1-13(2)24-12-19-22-18(24)11-23(4)14(3)16-10-17(21-20-16)15-8-6-5-7-9-15/h5-10,12-14H,11H2,1-4H3,(H,20,21)/t14-/m1/s1
InChIKeySWWHRWXCXVPHDZ-CQSZACIVSA-N
XLogP3.44
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine 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 (1R)-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of (1R)-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 124851771) is (1R)-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1R)-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine is CC(C)n1cnnc1CN(C)[C@H](C)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of (1R)-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is SWWHRWXCXVPHDZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N6/c1-13(2)24-12-19-22-18(24)11-23(4)14(3)16-10-17(21-20-16)15-8-6-5-7-9-15/h5-10,12-14H,11H2,1-4H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (1R)-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
(1R)-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 324.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 124851771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).