1-(3-fluoropropyl)-3-(1H-pyrazol-4-yl)urea

C7H11FN4O — CID 130693078

IUPAC1-(3-fluoropropyl)-3-(1H-pyrazol-4-yl)urea
SMILESO=C(NCCCF)Nc1cn[nH]c1
InChIInChI=1S/C7H11FN4O/c8-2-1-3-9-7(13)12-6-4-10-11-5-6/h4-5H,1-3H2,(H,10,11)(H2,9,12,13)
InChIKeyZDCCFJJJEVTPMV-UHFFFAOYSA-N
MW186.19 g/mol
LogP0.89
Rot. Bonds4

About 1-(3-fluoropropyl)-3-(1H-pyrazol-4-yl)urea

1-(3-fluoropropyl)-3-(1H-pyrazol-4-yl)urea (PubChem CID 130693078) has the molecular formula C7H11FN4O and a molecular weight of 186.19 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-(1H-pyrazol-4-yl)urea
PubChem CID130693078
Molecular FormulaC7H11FN4O
Molecular Weight186.19 g/mol
Exact Mass186.09
IUPAC Name1-(3-fluoropropyl)-3-(1H-pyrazol-4-yl)urea
SMILESO=C(NCCCF)Nc1cn[nH]c1
InChIInChI=1S/C7H11FN4O/c8-2-1-3-9-7(13)12-6-4-10-11-5-6/h4-5H,1-3H2,(H,10,11)(H2,9,12,13)
InChIKeyZDCCFJJJEVTPMV-UHFFFAOYSA-N
XLogP0.89
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea
CID 71893198
N-(4-pyrazolyl)urea
CID 43540216
1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)urea
CID 53503098
1-[2-(dimethylamino)propyl]-3-(1H-pyrazol-4-yl)urea
CID 53505344
1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 56788684
1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea
CID 71859104
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 71893159
1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 71893203
1-butyl-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 72045102
1-[2-[cyclohexyl(methyl)amino]ethyl]-3-(1H-pyrazol-4-yl)urea
CID 72046986
N-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide
CID 141335326
1-(1H-pyrazol-4-yl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 47252731

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-(3-fluoropropyl)-3-(1H-pyrazol-4-yl)urea (CID 130693078) is 1-(3-fluoropropyl)-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-(3-fluoropropyl)-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-(3-fluoropropyl)-3-(1H-pyrazol-4-yl)urea is O=C(NCCCF)Nc1cn[nH]c1.
What is the InChIKey of 1-(3-fluoropropyl)-3-(1H-pyrazol-4-yl)urea?
The InChIKey is ZDCCFJJJEVTPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4O/c8-2-1-3-9-7(13)12-6-4-10-11-5-6/h4-5H,1-3H2,(H,10,11)(H2,9,12,13).
What are the key properties of 1-(3-fluoropropyl)-3-(1H-pyrazol-4-yl)urea?
1-(3-fluoropropyl)-3-(1H-pyrazol-4-yl)urea has a molecular weight of 186.19 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 130693078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).