1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea

C15H24N4O2 — CID 97436202

IUPAC1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea
SMILESCCOCCNC(=O)Nc1ccnn1C[C@H]1CC=CCC1
InChIInChI=1S/C15H24N4O2/c1-2-21-11-10-16-15(20)18-14-8-9-17-19(14)12-13-6-4-3-5-7-13/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H2,16,18,20)/t13-/m0/s1
InChIKeyYYFXSEAMMZZPDM-ZDUSSCGKSA-N
MW292.38 g/mol
LogP2.40
Rot. Bonds7

About 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea

1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea (PubChem CID 97436202) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea.

Molecular Properties

Compound Name1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea
PubChem CID97436202
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea
SMILESCCOCCNC(=O)Nc1ccnn1C[C@H]1CC=CCC1
InChIInChI=1S/C15H24N4O2/c1-2-21-11-10-16-15(20)18-14-8-9-17-19(14)12-13-6-4-3-5-7-13/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H2,16,18,20)/t13-/m0/s1
InChIKeyYYFXSEAMMZZPDM-ZDUSSCGKSA-N
XLogP2.40
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea?
The IUPAC name of 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea (CID 97436202) is 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea.
What is the SMILES notation for 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea?
The canonical SMILES for 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea is CCOCCNC(=O)Nc1ccnn1C[C@H]1CC=CCC1.
What is the InChIKey of 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea?
The InChIKey is YYFXSEAMMZZPDM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-21-11-10-16-15(20)18-14-8-9-17-19(14)12-13-6-4-3-5-7-13/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H2,16,18,20)/t13-/m0/s1.
What are the key properties of 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea?
1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea has a molecular weight of 292.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea is sourced from PubChem (CID 97436202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).