1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea

C6H8F2N4O — CID 130991878

IUPAC1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea
SMILESO=C(NCC(F)F)Nc1cn[nH]c1
InChIInChI=1S/C6H8F2N4O/c7-5(8)3-9-6(13)12-4-1-10-11-2-4/h1-2,5H,3H2,(H,10,11)(H2,9,12,13)
InChIKeyFAMBERXZDIATTE-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.80
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea

1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea (PubChem CID 130991878) has the molecular formula C6H8F2N4O and a molecular weight of 190.15 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea
PubChem CID130991878
Molecular FormulaC6H8F2N4O
Molecular Weight190.15 g/mol
Exact Mass190.07
IUPAC Name1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea
SMILESO=C(NCC(F)F)Nc1cn[nH]c1
InChIInChI=1S/C6H8F2N4O/c7-5(8)3-9-6(13)12-4-1-10-11-2-4/h1-2,5H,3H2,(H,10,11)(H2,9,12,13)
InChIKeyFAMBERXZDIATTE-UHFFFAOYSA-N
XLogP0.80
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
CID 62671333
1-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)urea
CID 95130185
2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
CID 62877454
1-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94773819
1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94174229
2-(1H-pyrazol-4-ylcarbamoylamino)acetamide
CID 130682682
6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid
CID 61209750
1H-pyrazol-4-ylcarbamic acid
CID 66846919
1H-pyrazol-4-ylcarbamic acid
CID 66846920
1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 61341794
2-hydroxy-N-(1H-pyrazol-4-yl)acetamide
CID 83815139
1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea
CID 75508141

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea (CID 130991878) is 1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea is O=C(NCC(F)F)Nc1cn[nH]c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea?
The InChIKey is FAMBERXZDIATTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O/c7-5(8)3-9-6(13)12-4-1-10-11-2-4/h1-2,5H,3H2,(H,10,11)(H2,9,12,13).
What are the key properties of 1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea?
1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea has a molecular weight of 190.15 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 130991878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).