2-cyclopropyl-2-(cyclopropylamino)-3-(3,5-dimethylpyrazol-1-yl)propan-1-ol

C14H23N3O — CID 64809430

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(3,5-dimethylpyrazol-1-yl)propan-1-ol
SMILESCc1cc(C)n(CC(CO)(NC2CC2)C2CC2)n1
InChIInChI=1S/C14H23N3O/c1-10-7-11(2)17(16-10)8-14(9-18,12-3-4-12)15-13-5-6-13/h7,12-13,15,18H,3-6,8-9H2,1-2H3
InChIKeyCATQOFYUDGWXSU-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.39
Rot. Bonds6

About 2-cyclopropyl-2-(cyclopropylamino)-3-(3,5-dimethylpyrazol-1-yl)propan-1-ol

2-cyclopropyl-2-(cyclopropylamino)-3-(3,5-dimethylpyrazol-1-yl)propan-1-ol (PubChem CID 64809430) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(3,5-dimethylpyrazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(3,5-dimethylpyrazol-1-yl)propan-1-ol
PubChem CID64809430
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(3,5-dimethylpyrazol-1-yl)propan-1-ol
SMILESCc1cc(C)n(CC(CO)(NC2CC2)C2CC2)n1
InChIInChI=1S/C14H23N3O/c1-10-7-11(2)17(16-10)8-14(9-18,12-3-4-12)15-13-5-6-13/h7,12-13,15,18H,3-6,8-9H2,1-2H3
InChIKeyCATQOFYUDGWXSU-UHFFFAOYSA-N
XLogP1.39
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 64797554
2-cyclopropyl-2-(cyclopropylamino)-3-piperidin-1-ylpropan-1-ol
CID 64790851
1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole
CID 20774327
2-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile
CID 63907939
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64809852
2-cyclopropyl-2-(ethylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol
CID 64811763
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol
CID 103540761
2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)propan-1-ol
CID 64807982
1-[2-(bromomethyl)-2-ethylbutyl]-3,5-dimethylpyrazole
CID 64998721
3-(3,5-dimethylpyrazol-1-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43416849
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536339
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propan-1-ol
CID 64798076

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(3,5-dimethylpyrazol-1-yl)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(3,5-dimethylpyrazol-1-yl)propan-1-ol (CID 64809430) is 2-cyclopropyl-2-(cyclopropylamino)-3-(3,5-dimethylpyrazol-1-yl)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(3,5-dimethylpyrazol-1-yl)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(3,5-dimethylpyrazol-1-yl)propan-1-ol is Cc1cc(C)n(CC(CO)(NC2CC2)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(3,5-dimethylpyrazol-1-yl)propan-1-ol?
The InChIKey is CATQOFYUDGWXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-7-11(2)17(16-10)8-14(9-18,12-3-4-12)15-13-5-6-13/h7,12-13,15,18H,3-6,8-9H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(3,5-dimethylpyrazol-1-yl)propan-1-ol?
2-cyclopropyl-2-(cyclopropylamino)-3-(3,5-dimethylpyrazol-1-yl)propan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(3,5-dimethylpyrazol-1-yl)propan-1-ol is sourced from PubChem (CID 64809430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).