1-(4-amino-3-propan-2-yloxypyrazol-1-yl)propan-2-ol

C9H17N3O2 — CID 177367214

IUPAC1-(4-amino-3-propan-2-yloxypyrazol-1-yl)propan-2-ol
SMILESCC(O)Cn1cc(N)c(OC(C)C)n1
InChIInChI=1S/C9H17N3O2/c1-6(2)14-9-8(10)5-12(11-9)4-7(3)13/h5-7,13H,4,10H2,1-3H3
InChIKeyYRJGRMXKRVFUFO-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.63
Rot. Bonds4

About 1-(4-amino-3-propan-2-yloxypyrazol-1-yl)propan-2-ol

1-(4-amino-3-propan-2-yloxypyrazol-1-yl)propan-2-ol (PubChem CID 177367214) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(4-amino-3-propan-2-yloxypyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3-propan-2-yloxypyrazol-1-yl)propan-2-ol
PubChem CID177367214
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-(4-amino-3-propan-2-yloxypyrazol-1-yl)propan-2-ol
SMILESCC(O)Cn1cc(N)c(OC(C)C)n1
InChIInChI=1S/C9H17N3O2/c1-6(2)14-9-8(10)5-12(11-9)4-7(3)13/h5-7,13H,4,10H2,1-3H3
InChIKeyYRJGRMXKRVFUFO-UHFFFAOYSA-N
XLogP0.63
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-amino-4-bromopyrazol-1-yl)propan-2-ol
CID 65277437
ethane;2-(4-methyl-3-propan-2-yloxypyrazol-1-yl)ethanol
CID 170617706
3-butan-2-yloxy-1-methylpyrazol-4-amine
CID 103079130
ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate
CID 107344838
ethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate
CID 165472981
3-cyclopropyloxy-1-(2,2-difluoroethyl)pyrazol-4-amine
CID 146569693
4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide
CID 146570976
ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate
CID 107345022
5-amino-1-(2-hydroxypropyl)pyrimidine-2,4-dione
CID 65277616
1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol
CID 114419408
(2S)-1-(4-methyl-3-nitropyrazol-1-yl)propan-2-ol
CID 106932970
3-[4-amino-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-3-yl]-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-4-amine
CID 174781515

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-propan-2-yloxypyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(4-amino-3-propan-2-yloxypyrazol-1-yl)propan-2-ol (CID 177367214) is 1-(4-amino-3-propan-2-yloxypyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-amino-3-propan-2-yloxypyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-amino-3-propan-2-yloxypyrazol-1-yl)propan-2-ol is CC(O)Cn1cc(N)c(OC(C)C)n1.
What is the InChIKey of 1-(4-amino-3-propan-2-yloxypyrazol-1-yl)propan-2-ol?
The InChIKey is YRJGRMXKRVFUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6(2)14-9-8(10)5-12(11-9)4-7(3)13/h5-7,13H,4,10H2,1-3H3.
What are the key properties of 1-(4-amino-3-propan-2-yloxypyrazol-1-yl)propan-2-ol?
1-(4-amino-3-propan-2-yloxypyrazol-1-yl)propan-2-ol has a molecular weight of 199.25 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-propan-2-yloxypyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 177367214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).