1-(3-fluorophenyl)-3-[2-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazol-3-yl]urea

C19H20FN7O — CID 56752652

IUPAC1-(3-fluorophenyl)-3-[2-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazol-3-yl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccnn1C1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H20FN7O/c20-14-3-1-4-15(13-14)24-19(28)25-17-5-10-23-27(17)16-6-11-26(12-7-16)18-21-8-2-9-22-18/h1-5,8-10,13,16H,6-7,11-12H2,(H2,24,25,28)
InChIKeyKONCISBWJZXVEW-UHFFFAOYSA-N
MW381.42 g/mol
LogP3.30
Rot. Bonds4

About 1-(3-fluorophenyl)-3-[2-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazol-3-yl]urea

1-(3-fluorophenyl)-3-[2-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazol-3-yl]urea (PubChem CID 56752652) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[2-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[2-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazol-3-yl]urea
PubChem CID56752652
Molecular FormulaC19H20FN7O
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC Name1-(3-fluorophenyl)-3-[2-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazol-3-yl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccnn1C1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H20FN7O/c20-14-3-1-4-15(13-14)24-19(28)25-17-5-10-23-27(17)16-6-11-26(12-7-16)18-21-8-2-9-22-18/h1-5,8-10,13,16H,6-7,11-12H2,(H2,24,25,28)
InChIKeyKONCISBWJZXVEW-UHFFFAOYSA-N
XLogP3.30
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3-fluorophenyl)-3-[2-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazol-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea
CID 56753158
1-[2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea
CID 26394200
1-(3-fluorophenyl)-3-[2-[1-[2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea
CID 45214616
1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea
CID 122299621
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8846357
(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51686412
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
CID 42302028
3-(3-fluoroanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030474
3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24791274
3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42150716
N-(2-cyclopentylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120756360
3-fluoro-N-[2-[1-[[5-(2-methylpropyl)pyrazolidin-3-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 74812362

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[2-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazol-3-yl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[2-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazol-3-yl]urea (CID 56752652) is 1-(3-fluorophenyl)-3-[2-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[2-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[2-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazol-3-yl]urea is O=C(Nc1cccc(F)c1)Nc1ccnn1C1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[2-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazol-3-yl]urea?
The InChIKey is KONCISBWJZXVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O/c20-14-3-1-4-15(13-14)24-19(28)25-17-5-10-23-27(17)16-6-11-26(12-7-16)18-21-8-2-9-22-18/h1-5,8-10,13,16H,6-7,11-12H2,(H2,24,25,28).
What are the key properties of 1-(3-fluorophenyl)-3-[2-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazol-3-yl]urea?
1-(3-fluorophenyl)-3-[2-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazol-3-yl]urea has a molecular weight of 381.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[2-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazol-3-yl]urea is sourced from PubChem (CID 56752652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).