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

C15H17ClN4O2 — CID 90597812

IUPAC1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C15H17ClN4O2/c16-11-1-3-12(4-2-11)18-15(21)19-13-9-17-20(10-13)14-5-7-22-8-6-14/h1-4,9-10,14H,5-8H2,(H2,18,19,21)
InChIKeyGYXHLANWVIWDHL-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.53
Rot. Bonds3

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

1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea (PubChem CID 90597812) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
PubChem CID90597812
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C15H17ClN4O2/c16-11-1-3-12(4-2-11)18-15(21)19-13-9-17-20(10-13)14-5-7-22-8-6-14/h1-4,9-10,14H,5-8H2,(H2,18,19,21)
InChIKeyGYXHLANWVIWDHL-UHFFFAOYSA-N
XLogP3.53
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597838
1-(4-chlorophenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 90597712
1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597826
2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide
CID 90597743
N-[1-(oxan-4-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 71810169
1-naphthalen-1-yl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597839
4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 90597657
(E)-4-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-4-oxobut-2-enoic acid
CID 122172610
[1-(oxan-4-yl)pyrazol-4-yl]thiourea
CID 145069012
1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea
CID 97428185
1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719654
N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 71810204

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea (CID 90597812) is 1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea is O=C(Nc1ccc(Cl)cc1)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The InChIKey is GYXHLANWVIWDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c16-11-1-3-12(4-2-11)18-15(21)19-13-9-17-20(10-13)14-5-7-22-8-6-14/h1-4,9-10,14H,5-8H2,(H2,18,19,21).
What are the key properties of 1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea has a molecular weight of 320.78 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea is sourced from PubChem (CID 90597812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).