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

C7H10F3N3O — CID 65361720

IUPAC1-(5-amino-1H-pyrazol-4-yl)-4,4,4-trifluorobutan-1-ol
SMILESNc1[nH]ncc1C(O)CCC(F)(F)F
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)2-1-5(14)4-3-12-13-6(4)11/h3,5,14H,1-2H2,(H3,11,12,13)
InChIKeyVCYBCPUFCJQQBZ-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.37
Rot. Bonds3

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

1-(5-amino-1H-pyrazol-4-yl)-4,4,4-trifluorobutan-1-ol (PubChem CID 65361720) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-4,4,4-trifluorobutan-1-ol
PubChem CID65361720
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-4,4,4-trifluorobutan-1-ol
SMILESNc1[nH]ncc1C(O)CCC(F)(F)F
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)2-1-5(14)4-3-12-13-6(4)11/h3,5,14H,1-2H2,(H3,11,12,13)
InChIKeyVCYBCPUFCJQQBZ-UHFFFAOYSA-N
XLogP1.37
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.37
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)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-4,4,4-trifluorobutan-1-ol (CID 65361720) is 1-(5-amino-1H-pyrazol-4-yl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-4,4,4-trifluorobutan-1-ol is Nc1[nH]ncc1C(O)CCC(F)(F)F.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is VCYBCPUFCJQQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c8-7(9,10)2-1-5(14)4-3-12-13-6(4)11/h3,5,14H,1-2H2,(H3,11,12,13).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-4,4,4-trifluorobutan-1-ol?
1-(5-amino-1H-pyrazol-4-yl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 209.17 g/mol, XLogP of 1.37, 3 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)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 65361720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).