4-amino-5,5,5-trifluoro-4-(1H-pyrazol-5-yl)pentan-1-ol

C8H12F3N3O — CID 170172113

IUPAC4-amino-5,5,5-trifluoro-4-(1H-pyrazol-5-yl)pentan-1-ol
SMILESNC(CCCO)(c1ccn[nH]1)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c9-8(10,11)7(12,3-1-5-15)6-2-4-13-14-6/h2,4,15H,1,3,5,12H2,(H,13,14)
InChIKeyMWCYAFZSYAPXBM-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.90
Rot. Bonds4

About 4-amino-5,5,5-trifluoro-4-(1H-pyrazol-5-yl)pentan-1-ol

4-amino-5,5,5-trifluoro-4-(1H-pyrazol-5-yl)pentan-1-ol (PubChem CID 170172113) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 4-amino-5,5,5-trifluoro-4-(1H-pyrazol-5-yl)pentan-1-ol.

Molecular Properties

Compound Name4-amino-5,5,5-trifluoro-4-(1H-pyrazol-5-yl)pentan-1-ol
PubChem CID170172113
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name4-amino-5,5,5-trifluoro-4-(1H-pyrazol-5-yl)pentan-1-ol
SMILESNC(CCCO)(c1ccn[nH]1)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c9-8(10,11)7(12,3-1-5-15)6-2-4-13-14-6/h2,4,15H,1,3,5,12H2,(H,13,14)
InChIKeyMWCYAFZSYAPXBM-UHFFFAOYSA-N
XLogP0.90
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5,5,5-trifluoro-4-(1H-pyrazol-5-yl)pentan-1-ol?
The IUPAC name of 4-amino-5,5,5-trifluoro-4-(1H-pyrazol-5-yl)pentan-1-ol (CID 170172113) is 4-amino-5,5,5-trifluoro-4-(1H-pyrazol-5-yl)pentan-1-ol.
What is the SMILES notation for 4-amino-5,5,5-trifluoro-4-(1H-pyrazol-5-yl)pentan-1-ol?
The canonical SMILES for 4-amino-5,5,5-trifluoro-4-(1H-pyrazol-5-yl)pentan-1-ol is NC(CCCO)(c1ccn[nH]1)C(F)(F)F.
What is the InChIKey of 4-amino-5,5,5-trifluoro-4-(1H-pyrazol-5-yl)pentan-1-ol?
The InChIKey is MWCYAFZSYAPXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c9-8(10,11)7(12,3-1-5-15)6-2-4-13-14-6/h2,4,15H,1,3,5,12H2,(H,13,14).
What are the key properties of 4-amino-5,5,5-trifluoro-4-(1H-pyrazol-5-yl)pentan-1-ol?
4-amino-5,5,5-trifluoro-4-(1H-pyrazol-5-yl)pentan-1-ol has a molecular weight of 223.20 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,5,5-trifluoro-4-(1H-pyrazol-5-yl)pentan-1-ol is sourced from PubChem (CID 170172113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).