2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentan-1-ol

C13H25N3O — CID 64809904

IUPAC2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentan-1-ol
SMILESCc1ccn(C(C)CC(C)(CO)NC(C)C)n1
InChIInChI=1S/C13H25N3O/c1-10(2)14-13(5,9-17)8-12(4)16-7-6-11(3)15-16/h6-7,10,12,14,17H,8-9H2,1-5H3
InChIKeyKJIDYVAIMORTBB-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.89
Rot. Bonds6

About 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentan-1-ol

2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64809904) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64809904
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentan-1-ol
SMILESCc1ccn(C(C)CC(C)(CO)NC(C)C)n1
InChIInChI=1S/C13H25N3O/c1-10(2)14-13(5,9-17)8-12(4)16-7-6-11(3)15-16/h6-7,10,12,14,17H,8-9H2,1-5H3
InChIKeyKJIDYVAIMORTBB-UHFFFAOYSA-N
XLogP1.89
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Methyl-1H-pyrazol-1-yl)ethan-1-ol
CID 19621865
1-(Propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 4284201
5-{[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]amino}-2,2-dimethylpentan-1-ol
CID 46994365
[(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol
CID 86787486
5,5-Dimethyl-2-[(2-methylpyrazol-3-yl)methylamino]hexane-1,4-diol
CID 121589438
N-(1-hydroxy-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 61245896
1-(Methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 61631243
1-(Ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 61631292
1-(Propylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 61631293
2-Amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol
CID 64808840
2-(Ethylamino)-2-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol
CID 64808841
2-Methyl-2-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
CID 64808842

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentan-1-ol (CID 64809904) is 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentan-1-ol is Cc1ccn(C(C)CC(C)(CO)NC(C)C)n1.
What is the InChIKey of 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is KJIDYVAIMORTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(2)14-13(5,9-17)8-12(4)16-7-6-11(3)15-16/h6-7,10,12,14,17H,8-9H2,1-5H3.
What are the key properties of 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentan-1-ol?
2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64809904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).