1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol

C16H23N3O2 — CID 62329267

IUPAC1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol
SMILESCCC(C)Oc1cccc(NCC(O)Cn2cccn2)c1
InChIInChI=1S/C16H23N3O2/c1-3-13(2)21-16-7-4-6-14(10-16)17-11-15(20)12-19-9-5-8-18-19/h4-10,13,15,17,20H,3,11-12H2,1-2H3
InChIKeyOTSQKSQNQVSHRR-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.53
Rot. Bonds8

About 1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol

1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 62329267) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol
PubChem CID62329267
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol
SMILESCCC(C)Oc1cccc(NCC(O)Cn2cccn2)c1
InChIInChI=1S/C16H23N3O2/c1-3-13(2)21-16-7-4-6-14(10-16)17-11-15(20)12-19-9-5-8-18-19/h4-10,13,15,17,20H,3,11-12H2,1-2H3
InChIKeyOTSQKSQNQVSHRR-UHFFFAOYSA-N
XLogP2.53
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 62328410
1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60897345
1-(4-bromo-3-methoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 82868105
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60896952
2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764
1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol
CID 115378206
1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60898605
3-butan-2-yloxy-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555712
1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol
CID 114493050
2-(3-butan-2-yloxyanilino)-N-methylacetamide
CID 54830374
2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone
CID 62328413

Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol (CID 62329267) is 1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol is CCC(C)Oc1cccc(NCC(O)Cn2cccn2)c1.
What is the InChIKey of 1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is OTSQKSQNQVSHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-13(2)21-16-7-4-6-14(10-16)17-11-15(20)12-19-9-5-8-18-19/h4-10,13,15,17,20H,3,11-12H2,1-2H3.
What are the key properties of 1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol?
1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 289.38 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 62329267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).