1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol

C11H19N3O2 — CID 79778854

IUPAC1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
SMILESCn1ccc(NCC(O)COCC2CC2)n1
InChIInChI=1S/C11H19N3O2/c1-14-5-4-11(13-14)12-6-10(15)8-16-7-9-2-3-9/h4-5,9-10,15H,2-3,6-8H2,1H3,(H,12,13)
InChIKeyDYPGNIXEWRPAQX-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.62
Rot. Bonds7

About 1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol

1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol (PubChem CID 79778854) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
PubChem CID79778854
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
SMILESCn1ccc(NCC(O)COCC2CC2)n1
InChIInChI=1S/C11H19N3O2/c1-14-5-4-11(13-14)12-6-10(15)8-16-7-9-2-3-9/h4-5,9-10,15H,2-3,6-8H2,1H3,(H,12,13)
InChIKeyDYPGNIXEWRPAQX-UHFFFAOYSA-N
XLogP0.62
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106990156
1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol
CID 106104833
1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778676
1-[(2-fluorophenyl)methoxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778483
1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79779688
4-[2-hydroxy-3-[(1-methylpyrazol-3-yl)amino]propoxy]benzonitrile
CID 79778561
1-(2,6-dichlorophenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79779274
(2R)-1-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106932300
1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778480
1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901833
1-(cyclopropylmethoxy)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-2-ol
CID 109391103
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
CID 111697762

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol (CID 79778854) is 1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol is Cn1ccc(NCC(O)COCC2CC2)n1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
The InChIKey is DYPGNIXEWRPAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-14-5-4-11(13-14)12-6-10(15)8-16-7-9-2-3-9/h4-5,9-10,15H,2-3,6-8H2,1H3,(H,12,13).
What are the key properties of 1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol is sourced from PubChem (CID 79778854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).