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

C8H12F3N3O — CID 115516126

IUPAC1-(5-amino-1H-pyrazol-4-yl)-5,5,5-trifluoropentan-1-ol
SMILESNc1[nH]ncc1C(O)CCCC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c9-8(10,11)3-1-2-6(15)5-4-13-14-7(5)12/h4,6,15H,1-3H2,(H3,12,13,14)
InChIKeyWXOQVTBCFTTWNZ-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.76
Rot. Bonds4

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

1-(5-amino-1H-pyrazol-4-yl)-5,5,5-trifluoropentan-1-ol (PubChem CID 115516126) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-5,5,5-trifluoropentan-1-ol
PubChem CID115516126
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-5,5,5-trifluoropentan-1-ol
SMILESNc1[nH]ncc1C(O)CCCC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c9-8(10,11)3-1-2-6(15)5-4-13-14-7(5)12/h4,6,15H,1-3H2,(H3,12,13,14)
InChIKeyWXOQVTBCFTTWNZ-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-5,5,5-trifluoropentan-1-ol (CID 115516126) is 1-(5-amino-1H-pyrazol-4-yl)-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-5,5,5-trifluoropentan-1-ol is Nc1[nH]ncc1C(O)CCCC(F)(F)F.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-5,5,5-trifluoropentan-1-ol?
The InChIKey is WXOQVTBCFTTWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c9-8(10,11)3-1-2-6(15)5-4-13-14-7(5)12/h4,6,15H,1-3H2,(H3,12,13,14).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-5,5,5-trifluoropentan-1-ol?
1-(5-amino-1H-pyrazol-4-yl)-5,5,5-trifluoropentan-1-ol has a molecular weight of 223.20 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 115516126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).