1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea

C11H11F2N5O2 — CID 75508141

IUPAC1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea
SMILESO=C(Nc1cn[nH]c1)Nc1cccc(OCC(F)F)n1
InChIInChI=1S/C11H11F2N5O2/c12-8(13)6-20-10-3-1-2-9(17-10)18-11(19)16-7-4-14-15-5-7/h1-5,8H,6H2,(H,14,15)(H2,16,17,18,19)
InChIKeyMVFZVSUVIHSNGG-UHFFFAOYSA-N
MW283.24 g/mol
LogP2.09
Rot. Bonds5

About 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea

1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea (PubChem CID 75508141) has the molecular formula C11H11F2N5O2 and a molecular weight of 283.24 g/mol. Its IUPAC name is 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea
PubChem CID75508141
Molecular FormulaC11H11F2N5O2
Molecular Weight283.24 g/mol
Exact Mass283.09
IUPAC Name1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea
SMILESO=C(Nc1cn[nH]c1)Nc1cccc(OCC(F)F)n1
InChIInChI=1S/C11H11F2N5O2/c12-8(13)6-20-10-3-1-2-9(17-10)18-11(19)16-7-4-14-15-5-7/h1-5,8H,6H2,(H,14,15)(H2,16,17,18,19)
InChIKeyMVFZVSUVIHSNGG-UHFFFAOYSA-N
XLogP2.09
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1H-pyrazole-5-carboxamide
CID 119043080
N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,5-thiadiazole-3-carboxamide
CID 119043093
1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1,2,5-oxadiazol-3-ylmethyl)urea
CID 154771848
4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122090044
1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea
CID 130991878
1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430028
1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 43540324
1-(6-methoxy-2-pyridinyl)-3-[2-(1H-pyrazol-4-yl)ethyl]urea
CID 138025676
1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430035
1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 122145730
1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 61341794
1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea
CID 47085454

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea (CID 75508141) is 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea is O=C(Nc1cn[nH]c1)Nc1cccc(OCC(F)F)n1.
What is the InChIKey of 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea?
The InChIKey is MVFZVSUVIHSNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5O2/c12-8(13)6-20-10-3-1-2-9(17-10)18-11(19)16-7-4-14-15-5-7/h1-5,8H,6H2,(H,14,15)(H2,16,17,18,19).
What are the key properties of 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea?
1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea has a molecular weight of 283.24 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 75508141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).