2-amino-4-(4-methylpyrazol-1-yl)-2-phenylbutan-1-ol

C14H19N3O — CID 116695357

IUPAC2-amino-4-(4-methylpyrazol-1-yl)-2-phenylbutan-1-ol
SMILESCc1cnn(CCC(N)(CO)c2ccccc2)c1
InChIInChI=1S/C14H19N3O/c1-12-9-16-17(10-12)8-7-14(15,11-18)13-5-3-2-4-6-13/h2-6,9-10,18H,7-8,11,15H2,1H3
InChIKeyJUTQCEMHZSVUJU-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.43
Rot. Bonds5

About 2-amino-4-(4-methylpyrazol-1-yl)-2-phenylbutan-1-ol

2-amino-4-(4-methylpyrazol-1-yl)-2-phenylbutan-1-ol (PubChem CID 116695357) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-amino-4-(4-methylpyrazol-1-yl)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(4-methylpyrazol-1-yl)-2-phenylbutan-1-ol
PubChem CID116695357
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-amino-4-(4-methylpyrazol-1-yl)-2-phenylbutan-1-ol
SMILESCc1cnn(CCC(N)(CO)c2ccccc2)c1
InChIInChI=1S/C14H19N3O/c1-12-9-16-17(10-12)8-7-14(15,11-18)13-5-3-2-4-6-13/h2-6,9-10,18H,7-8,11,15H2,1H3
InChIKeyJUTQCEMHZSVUJU-UHFFFAOYSA-N
XLogP1.43
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(methylamino)-4-(4-methylpyrazol-1-yl)-2-phenylbutanoate
CID 116694011
2-(ethylamino)-4-(4-methylpyrazol-1-yl)-2-phenylbutanoic acid
CID 116694007
2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol
CID 116695331
2-amino-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol
CID 116695373
2-amino-2-phenylpentan-1-ol
CID 61056433
4-(4-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)butanenitrile
CID 116692718
2-amino-2-methyl-3-(4-methylpyrazol-1-yl)propan-1-ol
CID 64809447
2,2-dimethyl-4-(4-methylpyrazol-1-yl)butan-1-amine
CID 65246794
2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64811325
2-amino-4-(dimethylamino)-2-phenylbutan-1-ol
CID 116695084
2-methyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentan-1-ol
CID 64808818
2-amino-3-(3-methylpyrazol-1-yl)-2-phenylpropan-1-ol
CID 64809901

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methylpyrazol-1-yl)-2-phenylbutan-1-ol?
The IUPAC name of 2-amino-4-(4-methylpyrazol-1-yl)-2-phenylbutan-1-ol (CID 116695357) is 2-amino-4-(4-methylpyrazol-1-yl)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(4-methylpyrazol-1-yl)-2-phenylbutan-1-ol?
The canonical SMILES for 2-amino-4-(4-methylpyrazol-1-yl)-2-phenylbutan-1-ol is Cc1cnn(CCC(N)(CO)c2ccccc2)c1.
What is the InChIKey of 2-amino-4-(4-methylpyrazol-1-yl)-2-phenylbutan-1-ol?
The InChIKey is JUTQCEMHZSVUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-12-9-16-17(10-12)8-7-14(15,11-18)13-5-3-2-4-6-13/h2-6,9-10,18H,7-8,11,15H2,1H3.
What are the key properties of 2-amino-4-(4-methylpyrazol-1-yl)-2-phenylbutan-1-ol?
2-amino-4-(4-methylpyrazol-1-yl)-2-phenylbutan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methylpyrazol-1-yl)-2-phenylbutan-1-ol is sourced from PubChem (CID 116695357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).