3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol

C15H21N3O — CID 65337518

IUPAC3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol
SMILESCC(Nc1cnn(Cc2ccccc2)c1)C(C)(C)O
InChIInChI=1S/C15H21N3O/c1-12(15(2,3)19)17-14-9-16-18(11-14)10-13-7-5-4-6-8-13/h4-9,11-12,17,19H,10H2,1-3H3
InChIKeyFKFMUQDMUHGFMZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.50
Rot. Bonds5

About 3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol

3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol (PubChem CID 65337518) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol
PubChem CID65337518
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol
SMILESCC(Nc1cnn(Cc2ccccc2)c1)C(C)(C)O
InChIInChI=1S/C15H21N3O/c1-12(15(2,3)19)17-14-9-16-18(11-14)10-13-7-5-4-6-8-13/h4-9,11-12,17,19H,10H2,1-3H3
InChIKeyFKFMUQDMUHGFMZ-UHFFFAOYSA-N
XLogP2.50
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
CID 82539768
3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 81412350
1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine
CID 106757614
1-benzyl-N-[1-(furan-2-yl)propan-2-yl]pyrazol-4-amine
CID 63086183
N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148
2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide
CID 75507073
2-[(1-benzylpyrazol-4-yl)amino]-2-phenylacetamide
CID 75507076
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol
CID 65338216
N-(1-benzylpyrazol-4-yl)-2-bromo-3-methylbutanamide
CID 60934374
N-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide
CID 60945282
3-[(1-benzylpyrazol-4-yl)amino]propanoic acid
CID 82539638

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol (CID 65337518) is 3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol is CC(Nc1cnn(Cc2ccccc2)c1)C(C)(C)O.
What is the InChIKey of 3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol?
The InChIKey is FKFMUQDMUHGFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(15(2,3)19)17-14-9-16-18(11-14)10-13-7-5-4-6-8-13/h4-9,11-12,17,19H,10H2,1-3H3.
What are the key properties of 3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol?
3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol has a molecular weight of 259.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 65337518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).