1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-fluoro-N-methylanilino)propan-2-ol

C15H21FN4O — CID 63947469

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-fluoro-N-methylanilino)propan-2-ol
SMILESCc1nn(CC(O)CN(C)c2ccc(F)cc2)c(C)c1N
InChIInChI=1S/C15H21FN4O/c1-10-15(17)11(2)20(18-10)9-14(21)8-19(3)13-6-4-12(16)5-7-13/h4-7,14,21H,8-9,17H2,1-3H3
InChIKeyISUBTPGSBKXWFK-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.72
Rot. Bonds5

About 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-fluoro-N-methylanilino)propan-2-ol

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-fluoro-N-methylanilino)propan-2-ol (PubChem CID 63947469) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-fluoro-N-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-fluoro-N-methylanilino)propan-2-ol
PubChem CID63947469
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-fluoro-N-methylanilino)propan-2-ol
SMILESCc1nn(CC(O)CN(C)c2ccc(F)cc2)c(C)c1N
InChIInChI=1S/C15H21FN4O/c1-10-15(17)11(2)20(18-10)9-14(21)8-19(3)13-6-4-12(16)5-7-13/h4-7,14,21H,8-9,17H2,1-3H3
InChIKeyISUBTPGSBKXWFK-UHFFFAOYSA-N
XLogP1.72
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-fluoro-N-methylanilino)propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-fluoro-N-methylanilino)propan-2-ol (CID 63947469) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-fluoro-N-methylanilino)propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-fluoro-N-methylanilino)propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-fluoro-N-methylanilino)propan-2-ol is Cc1nn(CC(O)CN(C)c2ccc(F)cc2)c(C)c1N.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-fluoro-N-methylanilino)propan-2-ol?
The InChIKey is ISUBTPGSBKXWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-10-15(17)11(2)20(18-10)9-14(21)8-19(3)13-6-4-12(16)5-7-13/h4-7,14,21H,8-9,17H2,1-3H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-fluoro-N-methylanilino)propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-fluoro-N-methylanilino)propan-2-ol has a molecular weight of 292.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-fluoro-N-methylanilino)propan-2-ol is sourced from PubChem (CID 63947469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).