2-methyl-3-[4-(1H-pyrazol-5-yl)anilino]butan-2-ol

C14H19N3O — CID 65337450

IUPAC2-methyl-3-[4-(1H-pyrazol-5-yl)anilino]butan-2-ol
SMILESCC(Nc1ccc(-c2ccn[nH]2)cc1)C(C)(C)O
InChIInChI=1S/C14H19N3O/c1-10(14(2,3)18)16-12-6-4-11(5-7-12)13-8-9-15-17-13/h4-10,16,18H,1-3H3,(H,15,17)
InChIKeyUEFZZTXTIODOTO-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.65
Rot. Bonds4

About 2-methyl-3-[4-(1H-pyrazol-5-yl)anilino]butan-2-ol

2-methyl-3-[4-(1H-pyrazol-5-yl)anilino]butan-2-ol (PubChem CID 65337450) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-3-[4-(1H-pyrazol-5-yl)anilino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[4-(1H-pyrazol-5-yl)anilino]butan-2-ol
PubChem CID65337450
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-methyl-3-[4-(1H-pyrazol-5-yl)anilino]butan-2-ol
SMILESCC(Nc1ccc(-c2ccn[nH]2)cc1)C(C)(C)O
InChIInChI=1S/C14H19N3O/c1-10(14(2,3)18)16-12-6-4-11(5-7-12)13-8-9-15-17-13/h4-10,16,18H,1-3H3,(H,15,17)
InChIKeyUEFZZTXTIODOTO-UHFFFAOYSA-N
XLogP2.65
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline
CID 61324337
N-hexan-3-yl-4-(1H-pyrazol-5-yl)aniline
CID 114079537
N-[1-(4-iodophenyl)ethyl]-4-(1H-pyrazol-5-yl)aniline
CID 43788690
2,2-dimethyl-3-[4-(1H-pyrazol-5-yl)anilino]propan-1-ol
CID 81412237
2-methyl-3-(4-pyrazol-1-ylanilino)butan-2-ol
CID 65337972
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline
CID 43733318
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline
CID 43788715
N-(2,2-dimethoxyethyl)-4-(1H-pyrazol-5-yl)aniline
CID 63697596
3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 62668887
3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 81470210
3-(3,4-dichloroanilino)-2-methylbutan-2-ol
CID 65333174
5-[4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]-1H-pyrazole
CID 61453983

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(1H-pyrazol-5-yl)anilino]butan-2-ol?
The IUPAC name of 2-methyl-3-[4-(1H-pyrazol-5-yl)anilino]butan-2-ol (CID 65337450) is 2-methyl-3-[4-(1H-pyrazol-5-yl)anilino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[4-(1H-pyrazol-5-yl)anilino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[4-(1H-pyrazol-5-yl)anilino]butan-2-ol is CC(Nc1ccc(-c2ccn[nH]2)cc1)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[4-(1H-pyrazol-5-yl)anilino]butan-2-ol?
The InChIKey is UEFZZTXTIODOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(14(2,3)18)16-12-6-4-11(5-7-12)13-8-9-15-17-13/h4-10,16,18H,1-3H3,(H,15,17).
What are the key properties of 2-methyl-3-[4-(1H-pyrazol-5-yl)anilino]butan-2-ol?
2-methyl-3-[4-(1H-pyrazol-5-yl)anilino]butan-2-ol has a molecular weight of 245.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(1H-pyrazol-5-yl)anilino]butan-2-ol is sourced from PubChem (CID 65337450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).