2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol

C15H20ClN3O — CID 116695331

IUPAC2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol
SMILESCc1nn(CCC(N)(CO)c2ccccc2)c(C)c1Cl
InChIInChI=1S/C15H20ClN3O/c1-11-14(16)12(2)19(18-11)9-8-15(17,10-20)13-6-4-3-5-7-13/h3-7,20H,8-10,17H2,1-2H3
InChIKeyOZZYYZJGTLLTHH-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.39
Rot. Bonds5

About 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol

2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol (PubChem CID 116695331) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol
PubChem CID116695331
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol
SMILESCc1nn(CCC(N)(CO)c2ccccc2)c(C)c1Cl
InChIInChI=1S/C15H20ClN3O/c1-11-14(16)12(2)19(18-11)9-8-15(17,10-20)13-6-4-3-5-7-13/h3-7,20H,8-10,17H2,1-2H3
InChIKeyOZZYYZJGTLLTHH-UHFFFAOYSA-N
XLogP2.39
TPSA64.07 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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

{3-benzyl-1-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16191666
2-[(5-Chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol;hydrochloride
CID 53538717
2-[(5-Chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol
CID 53538718
(3S*,4S*)-1-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(4-fluorophenyl)piperidin-3-ol
CID 50970348
(2S)-1-(3,5-dimethylpyrazol-1-yl)-4-phenylbutan-2-ol
CID 99646501
[4-Chloro-5-(3,5-difluorophenyl)-1-methylpyrazol-3-yl]methanol
CID 68682847
[4-(2-Chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]methanol
CID 153944355
(5-Chloro-1,3-dimethylpyrazol-4-yl)-phenylmethanol
CID 79020517
(2R)-1-(3,5-dimethylpyrazol-1-yl)-4-phenylbutan-2-ol
CID 99646502
2-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-(3,4-difluorophenyl)ethanol
CID 53506714
2-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-[2-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 53538788
2-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-[2-(trifluoromethyl)phenyl]ethanol
CID 53538789

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol?
The IUPAC name of 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol (CID 116695331) is 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol?
The canonical SMILES for 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol is Cc1nn(CCC(N)(CO)c2ccccc2)c(C)c1Cl.
What is the InChIKey of 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol?
The InChIKey is OZZYYZJGTLLTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-11-14(16)12(2)19(18-11)9-8-15(17,10-20)13-6-4-3-5-7-13/h3-7,20H,8-10,17H2,1-2H3.
What are the key properties of 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol?
2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol has a molecular weight of 293.80 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol is sourced from PubChem (CID 116695331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).