(2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol

C18H27N3O — CID 97223061

IUPAC(2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCC(C)Cc1ccc(CNC[C@](C)(O)c2cnn(C)c2)cc1
InChIInChI=1S/C18H27N3O/c1-14(2)9-15-5-7-16(8-6-15)10-19-13-18(3,22)17-11-20-21(4)12-17/h5-8,11-12,14,19,22H,9-10,13H2,1-4H3/t18-/m0/s1
InChIKeyRUPJGPQIFWGSRQ-SFHVURJKSA-N
MW301.43 g/mol
LogP2.62
Rot. Bonds7

About (2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol

(2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 97223061) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID97223061
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCC(C)Cc1ccc(CNC[C@](C)(O)c2cnn(C)c2)cc1
InChIInChI=1S/C18H27N3O/c1-14(2)9-15-5-7-16(8-6-15)10-19-13-18(3,22)17-11-20-21(4)12-17/h5-8,11-12,14,19,22H,9-10,13H2,1-4H3/t18-/m0/s1
InChIKeyRUPJGPQIFWGSRQ-SFHVURJKSA-N
XLogP2.62
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol 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

1-[(4-ethylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457689
4-[[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methyl]-N-methylbenzamide
CID 111457597
2-(1-methylpyrazol-4-yl)-1-[(4-nitrophenyl)methylamino]propan-2-ol
CID 111457743
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398
2-(1-methylpyrazol-4-yl)-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 111457694
1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
1-[[3-(2-methylphenyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457630
1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457702
(2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99626808
1-(2-methoxyethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038024
1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457569
2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol
CID 111118581

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of (2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 97223061) is (2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol is CC(C)Cc1ccc(CNC[C@](C)(O)c2cnn(C)c2)cc1.
What is the InChIKey of (2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is RUPJGPQIFWGSRQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14(2)9-15-5-7-16(8-6-15)10-19-13-18(3,22)17-11-20-21(4)12-17/h5-8,11-12,14,19,22H,9-10,13H2,1-4H3/t18-/m0/s1.
What are the key properties of (2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
(2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 301.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 97223061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).