N-(difluoromethyl)-N-(1H-pyrazol-5-yl)formamide

C5H5F2N3O — CID 175276351

IUPACN-(difluoromethyl)-N-(1H-pyrazol-5-yl)formamide
SMILESO=CN(c1ccn[nH]1)C(F)F
InChIInChI=1S/C5H5F2N3O/c6-5(7)10(3-11)4-1-2-8-9-4/h1-3,5H,(H,8,9)
InChIKeyGVEUAPPOUJPRIJ-UHFFFAOYSA-N
MW161.11 g/mol
LogP0.60
Rot. Bonds3

About N-(difluoromethyl)-N-(1H-pyrazol-5-yl)formamide

N-(difluoromethyl)-N-(1H-pyrazol-5-yl)formamide (PubChem CID 175276351) has the molecular formula C5H5F2N3O and a molecular weight of 161.11 g/mol. Its IUPAC name is N-(difluoromethyl)-N-(1H-pyrazol-5-yl)formamide.

Molecular Properties

Compound NameN-(difluoromethyl)-N-(1H-pyrazol-5-yl)formamide
PubChem CID175276351
Molecular FormulaC5H5F2N3O
Molecular Weight161.11 g/mol
Exact Mass161.04
IUPAC NameN-(difluoromethyl)-N-(1H-pyrazol-5-yl)formamide
SMILESO=CN(c1ccn[nH]1)C(F)F
InChIInChI=1S/C5H5F2N3O/c6-5(7)10(3-11)4-1-2-8-9-4/h1-3,5H,(H,8,9)
InChIKeyGVEUAPPOUJPRIJ-UHFFFAOYSA-N
XLogP0.60
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-N-(1H-pyrazol-5-yl)formamide?
The IUPAC name of N-(difluoromethyl)-N-(1H-pyrazol-5-yl)formamide (CID 175276351) is N-(difluoromethyl)-N-(1H-pyrazol-5-yl)formamide.
What is the SMILES notation for N-(difluoromethyl)-N-(1H-pyrazol-5-yl)formamide?
The canonical SMILES for N-(difluoromethyl)-N-(1H-pyrazol-5-yl)formamide is O=CN(c1ccn[nH]1)C(F)F.
What is the InChIKey of N-(difluoromethyl)-N-(1H-pyrazol-5-yl)formamide?
The InChIKey is GVEUAPPOUJPRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3O/c6-5(7)10(3-11)4-1-2-8-9-4/h1-3,5H,(H,8,9).
What are the key properties of N-(difluoromethyl)-N-(1H-pyrazol-5-yl)formamide?
N-(difluoromethyl)-N-(1H-pyrazol-5-yl)formamide has a molecular weight of 161.11 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-(1H-pyrazol-5-yl)formamide is sourced from PubChem (CID 175276351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).