1-(2-methylphenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea

C16H20N4O2 — CID 71810277

IUPAC1-(2-methylphenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
SMILESCc1ccccc1NC(=O)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C16H20N4O2/c1-12-4-2-3-5-15(12)19-16(21)18-13-10-17-20(11-13)14-6-8-22-9-7-14/h2-5,10-11,14H,6-9H2,1H3,(H2,18,19,21)
InChIKeyPUHJTUURWFFMAK-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.19
Rot. Bonds3

About 1-(2-methylphenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea

1-(2-methylphenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea (PubChem CID 71810277) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
PubChem CID71810277
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-(2-methylphenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
SMILESCc1ccccc1NC(=O)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C16H20N4O2/c1-12-4-2-3-5-15(12)19-16(21)18-13-10-17-20(11-13)14-6-8-22-9-7-14/h2-5,10-11,14H,6-9H2,1H3,(H2,18,19,21)
InChIKeyPUHJTUURWFFMAK-UHFFFAOYSA-N
XLogP3.19
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
CID 155513256
1-Propyl-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
CID 45821662
1-(2-Morpholin-4-ylethyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 45829801
3-acetamido-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide
CID 45831930
1-[1-(2-Methoxyethyl)pyrazol-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 45831991
1-[1-(2,6-Difluorophenyl)propan-2-yl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 45833087
1-(4-Methylphenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 47027607
3-(methanesulfonamido)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 47039313
3-[Benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide
CID 47048247
1-[1-(2-Oxopyrrolidin-1-yl)propan-2-yl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
CID 47050882

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea (CID 71810277) is 1-(2-methylphenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea is Cc1ccccc1NC(=O)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of 1-(2-methylphenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The InChIKey is PUHJTUURWFFMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-4-2-3-5-15(12)19-16(21)18-13-10-17-20(11-13)14-6-8-22-9-7-14/h2-5,10-11,14H,6-9H2,1H3,(H2,18,19,21).
What are the key properties of 1-(2-methylphenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
1-(2-methylphenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea has a molecular weight of 300.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea is sourced from PubChem (CID 71810277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).