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

C9H17N3O — CID 130496246

IUPAC1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol
SMILESCC(O)CNc1ccn(C(C)C)n1
InChIInChI=1S/C9H17N3O/c1-7(2)12-5-4-9(11-12)10-6-8(3)13/h4-5,7-8,13H,6H2,1-3H3,(H,10,11)
InChIKeyMUCZALUIGSMDSM-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.26
Rot. Bonds4

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

1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol (PubChem CID 130496246) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol
PubChem CID130496246
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol
SMILESCC(O)CNc1ccn(C(C)C)n1
InChIInChI=1S/C9H17N3O/c1-7(2)12-5-4-9(11-12)10-6-8(3)13/h4-5,7-8,13H,6H2,1-3H3,(H,10,11)
InChIKeyMUCZALUIGSMDSM-UHFFFAOYSA-N
XLogP1.26
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106932300
2-[(1-propan-2-ylpyrazol-3-yl)amino]acetic acid
CID 130495843
1-(2-methoxyethoxy)-3-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol
CID 114252109
N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine
CID 130496244
N,1-di(propan-2-yl)pyrazol-3-amine
CID 130477356
N,1-di(propan-2-yl)pyrazol-3-amine;ethane
CID 169238022
N-(3-ethylsulfonylpropyl)-1-propan-2-ylpyrazol-3-amine
CID 114094321
2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 114094335
N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine;hydrochloride
CID 126966943
N-[(5-bromo-2-pyridinyl)methyl]-1-propan-2-ylpyrazol-3-amine
CID 114094567
1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 114252049
N-[(4-bromo-3-methylphenyl)methyl]-1-propan-2-ylpyrazol-3-amine
CID 114094562

Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol?
The IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol (CID 130496246) is 1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol is CC(O)CNc1ccn(C(C)C)n1.
What is the InChIKey of 1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol?
The InChIKey is MUCZALUIGSMDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(2)12-5-4-9(11-12)10-6-8(3)13/h4-5,7-8,13H,6H2,1-3H3,(H,10,11).
What are the key properties of 1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol?
1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol is sourced from PubChem (CID 130496246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).