1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol

C10H19N3O — CID 61462811

IUPAC1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
SMILESCCC(O)CNC(C)Cn1cccn1
InChIInChI=1S/C10H19N3O/c1-3-10(14)7-11-9(2)8-13-6-4-5-12-13/h4-6,9-11,14H,3,7-8H2,1-2H3
InChIKeyBBVQAHDECWZUJB-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.63
Rot. Bonds6

About 1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol

1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol (PubChem CID 61462811) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
PubChem CID61462811
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
SMILESCCC(O)CNC(C)Cn1cccn1
InChIInChI=1S/C10H19N3O/c1-3-10(14)7-11-9(2)8-13-6-4-5-12-13/h4-6,9-11,14H,3,7-8H2,1-2H3
InChIKeyBBVQAHDECWZUJB-UHFFFAOYSA-N
XLogP0.63
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid
CID 61462644
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
1-hexoxy-3-(1-pyrazol-1-ylpropan-2-ylamino)propan-2-ol
CID 61459658
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-2-ol
CID 98758880
N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine
CID 80601447
1-(1-phenylpropan-2-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 63011260
(1R)-1-(2,5-difluorophenyl)-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol
CID 94200233
(1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol
CID 94200232
1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
CID 61459886
1-(4-methoxyphenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
CID 56828855
1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 106229335
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol?
The IUPAC name of 1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol (CID 61462811) is 1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol.
What is the SMILES notation for 1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol?
The canonical SMILES for 1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol is CCC(O)CNC(C)Cn1cccn1.
What is the InChIKey of 1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol?
The InChIKey is BBVQAHDECWZUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-10(14)7-11-9(2)8-13-6-4-5-12-13/h4-6,9-11,14H,3,7-8H2,1-2H3.
What are the key properties of 1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol?
1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol is sourced from PubChem (CID 61462811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).