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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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).