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

C14H22N4O2 — CID 90597838

IUPAC1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
SMILESO=C(Nc1cnn(C2CCOCC2)c1)NC1CCCC1
InChIInChI=1S/C14H22N4O2/c19-14(16-11-3-1-2-4-11)17-12-9-15-18(10-12)13-5-7-20-8-6-13/h9-11,13H,1-8H2,(H2,16,17,19)
InChIKeyXCRGMRHCEVNQTQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.30
Rot. Bonds3

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

1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea (PubChem CID 90597838) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
PubChem CID90597838
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
SMILESO=C(Nc1cnn(C2CCOCC2)c1)NC1CCCC1
InChIInChI=1S/C14H22N4O2/c19-14(16-11-3-1-2-4-11)17-12-9-15-18(10-12)13-5-7-20-8-6-13/h9-11,13H,1-8H2,(H2,16,17,19)
InChIKeyXCRGMRHCEVNQTQ-UHFFFAOYSA-N
XLogP2.30
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(oxan-4-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 71810169
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597812
2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide
CID 90597743
(E)-4-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-4-oxobut-2-enoic acid
CID 122172610
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015
[1-(oxan-4-yl)pyrazol-4-yl]thiourea
CID 145069012
1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597826
1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 71810282
4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 90597657
1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide
CID 90597726
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
CID 71810120

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea (CID 90597838) is 1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea is O=C(Nc1cnn(C2CCOCC2)c1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The InChIKey is XCRGMRHCEVNQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-14(16-11-3-1-2-4-11)17-12-9-15-18(10-12)13-5-7-20-8-6-13/h9-11,13H,1-8H2,(H2,16,17,19).
What are the key properties of 1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea has a molecular weight of 278.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea is sourced from PubChem (CID 90597838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).