1-(4-cyano-1H-pyrazol-5-yl)-3-(2-fluorophenyl)urea

C11H8FN5O — CID 79503483

IUPAC1-(4-cyano-1H-pyrazol-5-yl)-3-(2-fluorophenyl)urea
SMILESN#Cc1cn[nH]c1NC(=O)Nc1ccccc1F
InChIInChI=1S/C11H8FN5O/c12-8-3-1-2-4-9(8)15-11(18)16-10-7(5-13)6-14-17-10/h1-4,6H,(H3,14,15,16,17,18)
InChIKeyMJYHVDVGFLZYOL-UHFFFAOYSA-N
MW245.22 g/mol
LogP2.06
Rot. Bonds2

About 1-(4-cyano-1H-pyrazol-5-yl)-3-(2-fluorophenyl)urea

1-(4-cyano-1H-pyrazol-5-yl)-3-(2-fluorophenyl)urea (PubChem CID 79503483) has the molecular formula C11H8FN5O and a molecular weight of 245.22 g/mol. Its IUPAC name is 1-(4-cyano-1H-pyrazol-5-yl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(4-cyano-1H-pyrazol-5-yl)-3-(2-fluorophenyl)urea
PubChem CID79503483
Molecular FormulaC11H8FN5O
Molecular Weight245.22 g/mol
Exact Mass245.07
IUPAC Name1-(4-cyano-1H-pyrazol-5-yl)-3-(2-fluorophenyl)urea
SMILESN#Cc1cn[nH]c1NC(=O)Nc1ccccc1F
InChIInChI=1S/C11H8FN5O/c12-8-3-1-2-4-9(8)15-11(18)16-10-7(5-13)6-14-17-10/h1-4,6H,(H3,14,15,16,17,18)
InChIKeyMJYHVDVGFLZYOL-UHFFFAOYSA-N
XLogP2.06
TPSA93.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-cyanophenyl)-3-(2-fluorophenyl)urea
CID 64918546
1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430028
N-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide
CID 78914172
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791
1-butyl-3-(4-cyano-1H-pyrazol-5-yl)urea
CID 79503092
N-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide
CID 110470623
N-(4-cyano-1H-pyrazol-5-yl)-1-phenylcyclobutane-1-carboxamide
CID 110473537
2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 79503936
N-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126694
N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide
CID 78913840
N-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 79504211
1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea
CID 901016

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-1H-pyrazol-5-yl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(4-cyano-1H-pyrazol-5-yl)-3-(2-fluorophenyl)urea (CID 79503483) is 1-(4-cyano-1H-pyrazol-5-yl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(4-cyano-1H-pyrazol-5-yl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(4-cyano-1H-pyrazol-5-yl)-3-(2-fluorophenyl)urea is N#Cc1cn[nH]c1NC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(4-cyano-1H-pyrazol-5-yl)-3-(2-fluorophenyl)urea?
The InChIKey is MJYHVDVGFLZYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O/c12-8-3-1-2-4-9(8)15-11(18)16-10-7(5-13)6-14-17-10/h1-4,6H,(H3,14,15,16,17,18).
What are the key properties of 1-(4-cyano-1H-pyrazol-5-yl)-3-(2-fluorophenyl)urea?
1-(4-cyano-1H-pyrazol-5-yl)-3-(2-fluorophenyl)urea has a molecular weight of 245.22 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-1H-pyrazol-5-yl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 79503483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).