(2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol

C10H19N3O — CID 103952125

IUPAC(2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
SMILESCC(CCn1cccn1)N[C@@H](C)CO
InChIInChI=1S/C10H19N3O/c1-9(12-10(2)8-14)4-7-13-6-3-5-11-13/h3,5-6,9-10,12,14H,4,7-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyKKRDQNRLUICVRN-AXDSSHIGSA-N
MW197.28 g/mol
LogP0.63
Rot. Bonds6

About (2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol

(2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol (PubChem CID 103952125) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
PubChem CID103952125
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
SMILESCC(CCn1cccn1)N[C@@H](C)CO
InChIInChI=1S/C10H19N3O/c1-9(12-10(2)8-14)4-7-13-6-3-5-11-13/h3,5-6,9-10,12,14H,4,7-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyKKRDQNRLUICVRN-AXDSSHIGSA-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

N-but-3-en-2-yl-4-pyrazol-1-ylbutan-2-amine
CID 115977708
(2R)-N-methyl-2-(4-pyrazol-1-ylbutan-2-ylamino)propanamide
CID 103952287
(2R)-1-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
CID 103952260
2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 115977842
N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
CID 115976552
N-methyl-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide
CID 115977436
N-(1-pyrazol-1-ylpropan-2-yl)hexan-2-amine
CID 43791834
(2S)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-pyrazol-1-ylbutan-2-amine
CID 97341577
2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol
CID 110012210
4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol
CID 115977930
N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine
CID 86784746
N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine
CID 115977889

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol?
The IUPAC name of (2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol (CID 103952125) is (2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol.
What is the SMILES notation for (2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol?
The canonical SMILES for (2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol is CC(CCn1cccn1)N[C@@H](C)CO.
What is the InChIKey of (2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol?
The InChIKey is KKRDQNRLUICVRN-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(12-10(2)8-14)4-7-13-6-3-5-11-13/h3,5-6,9-10,12,14H,4,7-8H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol?
(2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-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 (2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol is sourced from PubChem (CID 103952125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).