2-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]butan-1-ol

C12H23N3O — CID 81418743

IUPAC2-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1cnn(C(C)C)c1
InChIInChI=1S/C12H23N3O/c1-5-12(4,9-16)8-13-11-6-14-15(7-11)10(2)3/h6-7,10,13,16H,5,8-9H2,1-4H3
InChIKeyOIWQWKAWPHHMGB-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.28
Rot. Bonds6

About 2-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]butan-1-ol

2-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]butan-1-ol (PubChem CID 81418743) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]butan-1-ol
PubChem CID81418743
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1cnn(C(C)C)c1
InChIInChI=1S/C12H23N3O/c1-5-12(4,9-16)8-13-11-6-14-15(7-11)10(2)3/h6-7,10,13,16H,5,8-9H2,1-4H3
InChIKeyOIWQWKAWPHHMGB-UHFFFAOYSA-N
XLogP2.28
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]butan-1-ol with MolForge

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Related Compounds

2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid
CID 154882060
N-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine
CID 62903175
2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol
CID 65338216
1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111926711
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111618197
2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 62904075
2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol
CID 110928980
1-(5-hydroxy-4,4-dimethylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111618223
1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 110010595
3-tert-butyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine
CID 65274085
2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methylbutan-1-ol
CID 81413581

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]butan-1-ol (CID 81418743) is 2-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]butan-1-ol is CCC(C)(CO)CNc1cnn(C(C)C)c1.
What is the InChIKey of 2-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]butan-1-ol?
The InChIKey is OIWQWKAWPHHMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-12(4,9-16)8-13-11-6-14-15(7-11)10(2)3/h6-7,10,13,16H,5,8-9H2,1-4H3.
What are the key properties of 2-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]butan-1-ol?
2-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]butan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 81418743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).