(2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol

C15H20ClN3O — CID 99626808

IUPAC(2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCc1cc(Cl)ccc1CNC[C@](C)(O)c1cnn(C)c1
InChIInChI=1S/C15H20ClN3O/c1-11-6-14(16)5-4-12(11)7-17-10-15(2,20)13-8-18-19(3)9-13/h4-6,8-9,17,20H,7,10H2,1-3H3/t15-/m0/s1
InChIKeyOPBSMTCKIZGURO-HNNXBMFYSA-N
MW293.80 g/mol
LogP2.38
Rot. Bonds5

About (2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol

(2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 99626808) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is (2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID99626808
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name(2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCc1cc(Cl)ccc1CNC[C@](C)(O)c1cnn(C)c1
InChIInChI=1S/C15H20ClN3O/c1-11-6-14(16)5-4-12(11)7-17-10-15(2,20)13-8-18-19(3)9-13/h4-6,8-9,17,20H,7,10H2,1-3H3/t15-/m0/s1
InChIKeyOPBSMTCKIZGURO-HNNXBMFYSA-N
XLogP2.38
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol with MolForge

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Related Compounds

1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457702
1-[(6-chloro-2H-chromen-3-yl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457728
1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 104854183
1-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111467294
1-[(4-ethylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457689
1-[[3-(2-methylphenyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457630
(2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 97223061
1-(3-chlorophenyl)-3-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 96508358
1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111969444
1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457624
4-[[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methyl]-N-methylbenzamide
CID 111457597

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of (2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 99626808) is (2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol is Cc1cc(Cl)ccc1CNC[C@](C)(O)c1cnn(C)c1.
What is the InChIKey of (2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is OPBSMTCKIZGURO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-11-6-14(16)5-4-12(11)7-17-10-15(2,20)13-8-18-19(3)9-13/h4-6,8-9,17,20H,7,10H2,1-3H3/t15-/m0/s1.
What are the key properties of (2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
(2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 293.80 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 99626808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).