2-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(2-methylpropylamino)propan-2-ol

C13H25N3O2 — CID 114277858

IUPAC2-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(2-methylpropylamino)propan-2-ol
SMILESCOCCn1nccc1C(C)(O)CNCC(C)C
InChIInChI=1S/C13H25N3O2/c1-11(2)9-14-10-13(3,17)12-5-6-15-16(12)7-8-18-4/h5-6,11,14,17H,7-10H2,1-4H3
InChIKeyQXYNNMZSSXWMNW-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.98
Rot. Bonds8

About 2-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(2-methylpropylamino)propan-2-ol

2-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(2-methylpropylamino)propan-2-ol (PubChem CID 114277858) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name2-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(2-methylpropylamino)propan-2-ol
PubChem CID114277858
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(2-methylpropylamino)propan-2-ol
SMILESCOCCn1nccc1C(C)(O)CNCC(C)C
InChIInChI=1S/C13H25N3O2/c1-11(2)9-14-10-13(3,17)12-5-6-15-16(12)7-8-18-4/h5-6,11,14,17H,7-10H2,1-4H3
InChIKeyQXYNNMZSSXWMNW-UHFFFAOYSA-N
XLogP0.98
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 2-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(2-methylpropylamino)propan-2-ol (CID 114277858) is 2-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 2-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 2-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(2-methylpropylamino)propan-2-ol is COCCn1nccc1C(C)(O)CNCC(C)C.
What is the InChIKey of 2-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(2-methylpropylamino)propan-2-ol?
The InChIKey is QXYNNMZSSXWMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(2)9-14-10-13(3,17)12-5-6-15-16(12)7-8-18-4/h5-6,11,14,17H,7-10H2,1-4H3.
What are the key properties of 2-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(2-methylpropylamino)propan-2-ol?
2-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(2-methylpropylamino)propan-2-ol has a molecular weight of 255.36 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 114277858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).