2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol

C8H15N3O — CID 130502699

IUPAC2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol
SMILESCc1nn(C)cc1NC(C)CO
InChIInChI=1S/C8H15N3O/c1-6(5-12)9-8-4-11(3)10-7(8)2/h4,6,9,12H,5H2,1-3H3
InChIKeyJYUVHSURVVZNFM-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.52
Rot. Bonds3

About 2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol

2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol (PubChem CID 130502699) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol
PubChem CID130502699
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol
SMILESCc1nn(C)cc1NC(C)CO
InChIInChI=1S/C8H15N3O/c1-6(5-12)9-8-4-11(3)10-7(8)2/h4,6,9,12H,5H2,1-3H3
InChIKeyJYUVHSURVVZNFM-UHFFFAOYSA-N
XLogP0.52
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol
CID 102804155
N-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine
CID 104955905
3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid
CID 102805303
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide
CID 102805494
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol
CID 107715487
1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine
CID 104955918
2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83091814
N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine
CID 104952489
2-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzene-1,4-diol
CID 102804046
1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine
CID 104955785
1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine
CID 103562440
1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 102805094

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol (CID 130502699) is 2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol is Cc1nn(C)cc1NC(C)CO.
What is the InChIKey of 2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol?
The InChIKey is JYUVHSURVVZNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(5-12)9-8-4-11(3)10-7(8)2/h4,6,9,12H,5H2,1-3H3.
What are the key properties of 2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol?
2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol is sourced from PubChem (CID 130502699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).