1-(3-cyclohexyloxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea

C18H30N4O3 — CID 87038226

IUPAC1-(3-cyclohexyloxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
SMILESO=C(NCCCOC1CCCCC1)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C18H30N4O3/c23-18(19-9-5-11-24-16-6-2-1-3-7-16)21-15-12-20-22(13-15)14-17-8-4-10-25-17/h12-13,16-17H,1-11,14H2,(H2,19,21,23)
InChIKeyQRYHCBPTFLAUMT-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.92
Rot. Bonds8

About 1-(3-cyclohexyloxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea

1-(3-cyclohexyloxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea (PubChem CID 87038226) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(3-cyclohexyloxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(3-cyclohexyloxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
PubChem CID87038226
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name1-(3-cyclohexyloxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
SMILESO=C(NCCCOC1CCCCC1)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C18H30N4O3/c23-18(19-9-5-11-24-16-6-2-1-3-7-16)21-15-12-20-22(13-15)14-17-8-4-10-25-17/h12-13,16-17H,1-11,14H2,(H2,19,21,23)
InChIKeyQRYHCBPTFLAUMT-UHFFFAOYSA-N
XLogP2.92
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-butoxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037539
1-hexyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037443
1-(3-cyclopentyloxypropyl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea
CID 56795130
1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136578353
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
1-(dicyclopropylmethyl)-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96561422
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 121145358
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide
CID 95899494
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
1-[2-ethyl-2-(hydroxymethyl)butyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136517483
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyloxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(3-cyclohexyloxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea (CID 87038226) is 1-(3-cyclohexyloxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(3-cyclohexyloxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(3-cyclohexyloxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea is O=C(NCCCOC1CCCCC1)Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of 1-(3-cyclohexyloxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The InChIKey is QRYHCBPTFLAUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c23-18(19-9-5-11-24-16-6-2-1-3-7-16)21-15-12-20-22(13-15)14-17-8-4-10-25-17/h12-13,16-17H,1-11,14H2,(H2,19,21,23).
What are the key properties of 1-(3-cyclohexyloxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
1-(3-cyclohexyloxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea has a molecular weight of 350.46 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyloxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 87038226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).