2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol

C10H19N3O — CID 114493356

IUPAC2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol
SMILESCC(C)C(C)(O)CNc1cnn(C)c1
InChIInChI=1S/C10H19N3O/c1-8(2)10(3,14)7-11-9-5-12-13(4)6-9/h5-6,8,11,14H,7H2,1-4H3
InChIKeyNHJFVLFDKODFAB-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.24
Rot. Bonds4

About 2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol

2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol (PubChem CID 114493356) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol
PubChem CID114493356
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol
SMILESCC(C)C(C)(O)CNc1cnn(C)c1
InChIInChI=1S/C10H19N3O/c1-8(2)10(3,14)7-11-9-5-12-13(4)6-9/h5-6,8,11,14H,7H2,1-4H3
InChIKeyNHJFVLFDKODFAB-UHFFFAOYSA-N
XLogP1.24
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol
CID 111118581
(2R)-1-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 96705490
1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 111121182
N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111484287
2-amino-3-[(1-methylpyrazol-4-yl)amino]propanamide
CID 103256769
1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine
CID 79771007
4,4-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pentanenitrile
CID 115653208
1-(2-hydroxy-2,3-dimethylbutyl)-3-(1-propylpyrazol-4-yl)urea
CID 111475599
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398
1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride
CID 155858284
2-[(1-methylpyrazol-4-yl)amino]-1-morpholin-4-ylethanone
CID 79778249
N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine
CID 93104190

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol (CID 114493356) is 2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol is CC(C)C(C)(O)CNc1cnn(C)c1.
What is the InChIKey of 2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol?
The InChIKey is NHJFVLFDKODFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(2)10(3,14)7-11-9-5-12-13(4)6-9/h5-6,8,11,14H,7H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol?
2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol is sourced from PubChem (CID 114493356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).