1-[5-(difluoromethyl)-1H-pyrazol-4-yl]propan-2-yl formate

C8H10F2N2O2 — CID 174695534

IUPAC1-[5-(difluoromethyl)-1H-pyrazol-4-yl]propan-2-yl formate
SMILESCC(Cc1cn[nH]c1C(F)F)OC=O
InChIInChI=1S/C8H10F2N2O2/c1-5(14-4-13)2-6-3-11-12-7(6)8(9)10/h3-5,8H,2H2,1H3,(H,11,12)
InChIKeyQDDPUZVWQDNUGV-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.45
Rot. Bonds5

About 1-[5-(difluoromethyl)-1H-pyrazol-4-yl]propan-2-yl formate

1-[5-(difluoromethyl)-1H-pyrazol-4-yl]propan-2-yl formate (PubChem CID 174695534) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1H-pyrazol-4-yl]propan-2-yl formate.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1H-pyrazol-4-yl]propan-2-yl formate
PubChem CID174695534
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name1-[5-(difluoromethyl)-1H-pyrazol-4-yl]propan-2-yl formate
SMILESCC(Cc1cn[nH]c1C(F)F)OC=O
InChIInChI=1S/C8H10F2N2O2/c1-5(14-4-13)2-6-3-11-12-7(6)8(9)10/h3-5,8H,2H2,1H3,(H,11,12)
InChIKeyQDDPUZVWQDNUGV-UHFFFAOYSA-N
XLogP1.45
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1H-pyrazol-4-yl]propan-2-yl formate?
The IUPAC name of 1-[5-(difluoromethyl)-1H-pyrazol-4-yl]propan-2-yl formate (CID 174695534) is 1-[5-(difluoromethyl)-1H-pyrazol-4-yl]propan-2-yl formate.
What is the SMILES notation for 1-[5-(difluoromethyl)-1H-pyrazol-4-yl]propan-2-yl formate?
The canonical SMILES for 1-[5-(difluoromethyl)-1H-pyrazol-4-yl]propan-2-yl formate is CC(Cc1cn[nH]c1C(F)F)OC=O.
What is the InChIKey of 1-[5-(difluoromethyl)-1H-pyrazol-4-yl]propan-2-yl formate?
The InChIKey is QDDPUZVWQDNUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c1-5(14-4-13)2-6-3-11-12-7(6)8(9)10/h3-5,8H,2H2,1H3,(H,11,12).
What are the key properties of 1-[5-(difluoromethyl)-1H-pyrazol-4-yl]propan-2-yl formate?
1-[5-(difluoromethyl)-1H-pyrazol-4-yl]propan-2-yl formate has a molecular weight of 204.18 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1H-pyrazol-4-yl]propan-2-yl formate is sourced from PubChem (CID 174695534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).