1-(2-cyclopropyl-3-hydroxypropyl)-3-[2-(4-fluorophenyl)pyrazol-3-yl]urea

C16H19FN4O2 — CID 166251227

IUPAC1-(2-cyclopropyl-3-hydroxypropyl)-3-[2-(4-fluorophenyl)pyrazol-3-yl]urea
SMILESO=C(NCC(CO)C1CC1)Nc1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C16H19FN4O2/c17-13-3-5-14(6-4-13)21-15(7-8-19-21)20-16(23)18-9-12(10-22)11-1-2-11/h3-8,11-12,22H,1-2,9-10H2,(H2,18,20,23)
InChIKeyYCAIJWXMOVJWMU-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.15
Rot. Bonds6

About 1-(2-cyclopropyl-3-hydroxypropyl)-3-[2-(4-fluorophenyl)pyrazol-3-yl]urea

1-(2-cyclopropyl-3-hydroxypropyl)-3-[2-(4-fluorophenyl)pyrazol-3-yl]urea (PubChem CID 166251227) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-(2-cyclopropyl-3-hydroxypropyl)-3-[2-(4-fluorophenyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-3-hydroxypropyl)-3-[2-(4-fluorophenyl)pyrazol-3-yl]urea
PubChem CID166251227
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name1-(2-cyclopropyl-3-hydroxypropyl)-3-[2-(4-fluorophenyl)pyrazol-3-yl]urea
SMILESO=C(NCC(CO)C1CC1)Nc1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C16H19FN4O2/c17-13-3-5-14(6-4-13)21-15(7-8-19-21)20-16(23)18-9-12(10-22)11-1-2-11/h3-8,11-12,22H,1-2,9-10H2,(H2,18,20,23)
InChIKeyYCAIJWXMOVJWMU-UHFFFAOYSA-N
XLogP2.15
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enamide
CID 154779024
1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea
CID 63237113
N-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-phenylpyrazol-3-amine
CID 143053211
N-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide
CID 166219983
N-[2-(4-aminophenyl)pyrazol-3-yl]-2-cyclopentylacetamide
CID 62881715
1-(3-cyclopropyl-3-hydroxypropyl)-3-(4-fluorophenyl)urea
CID 71787548
N-[2-(4-aminophenyl)pyrazol-3-yl]acetamide
CID 62881877
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112761665
N-(2-phenylpyrazol-3-yl)acetamide
CID 12678799
N-[2-(4-fluorophenyl)pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 167815880
1-(2-methylpropanoyl)-N-(2-phenylpyrazol-3-yl)piperidine-4-carboxamide
CID 146091632
ethyl (E)-3-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enoate
CID 166320242

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-3-hydroxypropyl)-3-[2-(4-fluorophenyl)pyrazol-3-yl]urea?
The IUPAC name of 1-(2-cyclopropyl-3-hydroxypropyl)-3-[2-(4-fluorophenyl)pyrazol-3-yl]urea (CID 166251227) is 1-(2-cyclopropyl-3-hydroxypropyl)-3-[2-(4-fluorophenyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-3-hydroxypropyl)-3-[2-(4-fluorophenyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-cyclopropyl-3-hydroxypropyl)-3-[2-(4-fluorophenyl)pyrazol-3-yl]urea is O=C(NCC(CO)C1CC1)Nc1ccnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(2-cyclopropyl-3-hydroxypropyl)-3-[2-(4-fluorophenyl)pyrazol-3-yl]urea?
The InChIKey is YCAIJWXMOVJWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-13-3-5-14(6-4-13)21-15(7-8-19-21)20-16(23)18-9-12(10-22)11-1-2-11/h3-8,11-12,22H,1-2,9-10H2,(H2,18,20,23).
What are the key properties of 1-(2-cyclopropyl-3-hydroxypropyl)-3-[2-(4-fluorophenyl)pyrazol-3-yl]urea?
1-(2-cyclopropyl-3-hydroxypropyl)-3-[2-(4-fluorophenyl)pyrazol-3-yl]urea has a molecular weight of 318.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-3-hydroxypropyl)-3-[2-(4-fluorophenyl)pyrazol-3-yl]urea is sourced from PubChem (CID 166251227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).