4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol

C10H19N3O — CID 115883105

IUPAC4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol
SMILESCC(O)CCN(C)Cc1ccnn1C
InChIInChI=1S/C10H19N3O/c1-9(14)5-7-12(2)8-10-4-6-11-13(10)3/h4,6,9,14H,5,7-8H2,1-3H3
InChIKeyQAJWJBXOVITQEL-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.62
Rot. Bonds5

About 4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol

4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol (PubChem CID 115883105) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol
PubChem CID115883105
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol
SMILESCC(O)CCN(C)Cc1ccnn1C
InChIInChI=1S/C10H19N3O/c1-9(14)5-7-12(2)8-10-4-6-11-13(10)3/h4,6,9,14H,5,7-8H2,1-3H3
InChIKeyQAJWJBXOVITQEL-UHFFFAOYSA-N
XLogP0.62
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid
CID 65067288
tert-butyl N-[(2S)-2-hydroxypropyl]-N-[(2-methylpyrazol-3-yl)methyl]carbamate
CID 171601787
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 119106360
4-[(2-methylpyrazol-3-yl)methyl-propan-2-ylamino]butanoic acid
CID 65058245
2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19619342
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]but-3-yn-2-amine
CID 130635384
2-methyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013814
4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]butan-2-ol
CID 115666950
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid
CID 65240402
4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol
CID 103027950

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol?
The IUPAC name of 4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol (CID 115883105) is 4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol.
What is the SMILES notation for 4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol?
The canonical SMILES for 4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol is CC(O)CCN(C)Cc1ccnn1C.
What is the InChIKey of 4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol?
The InChIKey is QAJWJBXOVITQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(14)5-7-12(2)8-10-4-6-11-13(10)3/h4,6,9,14H,5,7-8H2,1-3H3.
What are the key properties of 4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol?
4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol is sourced from PubChem (CID 115883105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).