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

C16H20N4O2 — CID 90597826

IUPAC1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
SMILESO=C(NCc1ccccc1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C16H20N4O2/c21-16(17-10-13-4-2-1-3-5-13)19-14-11-18-20(12-14)15-6-8-22-9-7-15/h1-5,11-12,15H,6-10H2,(H2,17,19,21)
InChIKeyNYXPLHZVRDKOEW-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.56
Rot. Bonds4

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

1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea (PubChem CID 90597826) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
PubChem CID90597826
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
SMILESO=C(NCc1ccccc1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C16H20N4O2/c21-16(17-10-13-4-2-1-3-5-13)19-14-11-18-20(12-14)15-6-8-22-9-7-15/h1-5,11-12,15H,6-10H2,(H2,17,19,21)
InChIKeyNYXPLHZVRDKOEW-UHFFFAOYSA-N
XLogP2.56
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-1-yl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597839
1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 71810282
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597812
2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428055
1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597838
(E)-4-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-4-oxobut-2-enoic acid
CID 122172610
N-[1-(oxan-4-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 71810169
2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide
CID 90597743
N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 71810204
4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 90597657
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
CID 97428071
[1-(oxan-4-yl)pyrazol-4-yl]thiourea
CID 145069012

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The IUPAC name of 1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea (CID 90597826) is 1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The canonical SMILES for 1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea is O=C(NCc1ccccc1)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of 1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The InChIKey is NYXPLHZVRDKOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(17-10-13-4-2-1-3-5-13)19-14-11-18-20(12-14)15-6-8-22-9-7-15/h1-5,11-12,15H,6-10H2,(H2,17,19,21).
What are the key properties of 1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea has a molecular weight of 300.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea is sourced from PubChem (CID 90597826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).