2,3-dicyclopropyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-ol

C16H27N3O — CID 126818426

IUPAC2,3-dicyclopropyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCc1nn(C)c(C)c1CNC(C1CC1)C(CO)C1CC1
InChIInChI=1S/C16H27N3O/c1-10-14(11(2)19(3)18-10)8-17-16(13-6-7-13)15(9-20)12-4-5-12/h12-13,15-17,20H,4-9H2,1-3H3
InChIKeyBVDMEIBAEOZKKX-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.92
Rot. Bonds7

About 2,3-dicyclopropyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-ol

2,3-dicyclopropyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-ol (PubChem CID 126818426) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2,3-dicyclopropyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,3-dicyclopropyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-ol
PubChem CID126818426
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2,3-dicyclopropyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCc1nn(C)c(C)c1CNC(C1CC1)C(CO)C1CC1
InChIInChI=1S/C16H27N3O/c1-10-14(11(2)19(3)18-10)8-17-16(13-6-7-13)15(9-20)12-4-5-12/h12-13,15-17,20H,4-9H2,1-3H3
InChIKeyBVDMEIBAEOZKKX-UHFFFAOYSA-N
XLogP1.92
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dicyclopropyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of 2,3-dicyclopropyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-ol (CID 126818426) is 2,3-dicyclopropyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2,3-dicyclopropyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for 2,3-dicyclopropyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-ol is Cc1nn(C)c(C)c1CNC(C1CC1)C(CO)C1CC1.
What is the InChIKey of 2,3-dicyclopropyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-ol?
The InChIKey is BVDMEIBAEOZKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-10-14(11(2)19(3)18-10)8-17-16(13-6-7-13)15(9-20)12-4-5-12/h12-13,15-17,20H,4-9H2,1-3H3.
What are the key properties of 2,3-dicyclopropyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-ol?
2,3-dicyclopropyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dicyclopropyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 126818426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).