2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-ol

C15H29N3O — CID 64810712

IUPAC2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-ol
SMILESCc1nn(C(C)CC(C)(CO)NC(C)C)c(C)c1C
InChIInChI=1S/C15H29N3O/c1-10(2)16-15(7,9-19)8-11(3)18-14(6)12(4)13(5)17-18/h10-11,16,19H,8-9H2,1-7H3
InChIKeyDOJGBPMIKJGYQP-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.51
Rot. Bonds6

About 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-ol

2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-ol (PubChem CID 64810712) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-ol
PubChem CID64810712
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-ol
SMILESCc1nn(C(C)CC(C)(CO)NC(C)C)c(C)c1C
InChIInChI=1S/C15H29N3O/c1-10(2)16-15(7,9-19)8-11(3)18-14(6)12(4)13(5)17-18/h10-11,16,19H,8-9H2,1-7H3
InChIKeyDOJGBPMIKJGYQP-UHFFFAOYSA-N
XLogP2.51
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-ol (CID 64810712) is 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-ol is Cc1nn(C(C)CC(C)(CO)NC(C)C)c(C)c1C.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-ol?
The InChIKey is DOJGBPMIKJGYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-10(2)16-15(7,9-19)8-11(3)18-14(6)12(4)13(5)17-18/h10-11,16,19H,8-9H2,1-7H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-ol?
2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-ol has a molecular weight of 267.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-ol is sourced from PubChem (CID 64810712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).