2-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpropan-1-ol

C14H19N3O — CID 115112459

IUPAC2-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpropan-1-ol
SMILESCn1ncc(-c2cccc(C(C)(C)CO)c2)c1N
InChIInChI=1S/C14H19N3O/c1-14(2,9-18)11-6-4-5-10(7-11)12-8-16-17(3)13(12)15/h4-8,18H,9,15H2,1-3H3
InChIKeyNJNXYWIELUITIF-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.94
Rot. Bonds3

About 2-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpropan-1-ol

2-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpropan-1-ol (PubChem CID 115112459) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpropan-1-ol
PubChem CID115112459
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpropan-1-ol
SMILESCn1ncc(-c2cccc(C(C)(C)CO)c2)c1N
InChIInChI=1S/C14H19N3O/c1-14(2,9-18)11-6-4-5-10(7-11)12-8-16-17(3)13(12)15/h4-8,18H,9,15H2,1-3H3
InChIKeyNJNXYWIELUITIF-UHFFFAOYSA-N
XLogP1.94
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117319243
tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate
CID 117465942
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
1-methyl-4-[3-(oxetan-3-yl)phenyl]pyrazol-5-amine
CID 117330808
1-methyl-4-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-5-amine
CID 117390611
4-(3-cyclopentyloxyphenyl)-1-methylpyrazol-5-amine
CID 117397015
[3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol
CID 117338191
4-(4-ethyl-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117307110
4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine
CID 117407893
1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-2-one
CID 117459711
2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844
4-(9-ethylcarbazol-3-yl)-1-methylpyrazol-5-amine
CID 117469258

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpropan-1-ol (CID 115112459) is 2-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpropan-1-ol is Cn1ncc(-c2cccc(C(C)(C)CO)c2)c1N.
What is the InChIKey of 2-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpropan-1-ol?
The InChIKey is NJNXYWIELUITIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,9-18)11-6-4-5-10(7-11)12-8-16-17(3)13(12)15/h4-8,18H,9,15H2,1-3H3.
What are the key properties of 2-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpropan-1-ol?
2-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpropan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 115112459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).