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

C10H9FN4O — CID 43430028

IUPAC1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
SMILESO=C(Nc1cn[nH]c1)Nc1ccccc1F
InChIInChI=1S/C10H9FN4O/c11-8-3-1-2-4-9(8)15-10(16)14-7-5-12-13-6-7/h1-6H,(H,12,13)(H2,14,15,16)
InChIKeyAOWVIVPTWUKCIH-UHFFFAOYSA-N
MW220.21 g/mol
LogP2.19
Rot. Bonds2

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

1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea (PubChem CID 43430028) has the molecular formula C10H9FN4O and a molecular weight of 220.21 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
PubChem CID43430028
Molecular FormulaC10H9FN4O
Molecular Weight220.21 g/mol
Exact Mass220.08
IUPAC Name1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
SMILESO=C(Nc1cn[nH]c1)Nc1ccccc1F
InChIInChI=1S/C10H9FN4O/c11-8-3-1-2-4-9(8)15-10(16)14-7-5-12-13-6-7/h1-6H,(H,12,13)(H2,14,15,16)
InChIKeyAOWVIVPTWUKCIH-UHFFFAOYSA-N
XLogP2.19
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430035
2,4-difluoro-5-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid
CID 61210040
4-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63651767
1-(4-cyano-1H-pyrazol-5-yl)-3-(2-fluorophenyl)urea
CID 79503483
N-cyclohexyl-N-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzamide
CID 154775138
1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 122145730
1H-pyrazol-4-ylcarbamic acid
CID 66846920
1H-pyrazol-4-ylcarbamic acid
CID 66846919
4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180579
1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 43540324
N-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide
CID 66386649
1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 61341794

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea (CID 43430028) is 1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea is O=C(Nc1cn[nH]c1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea?
The InChIKey is AOWVIVPTWUKCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O/c11-8-3-1-2-4-9(8)15-10(16)14-7-5-12-13-6-7/h1-6H,(H,12,13)(H2,14,15,16).
What are the key properties of 1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea?
1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea has a molecular weight of 220.21 g/mol, XLogP of 2.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 43430028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).