1-cyclohexyl-3-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]urea

C15H24N4O2 — CID 71808522

IUPAC1-cyclohexyl-3-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]urea
SMILESCn1nc(CNC(=O)NC2CCCCC2)c2c1CCOC2
InChIInChI=1S/C15H24N4O2/c1-19-14-7-8-21-10-12(14)13(18-19)9-16-15(20)17-11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H2,16,17,20)
InChIKeyLZHKBCCZGXARCD-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.62
Rot. Bonds3

About 1-cyclohexyl-3-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]urea

1-cyclohexyl-3-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]urea (PubChem CID 71808522) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]urea
PubChem CID71808522
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-cyclohexyl-3-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]urea
SMILESCn1nc(CNC(=O)NC2CCCCC2)c2c1CCOC2
InChIInChI=1S/C15H24N4O2/c1-19-14-7-8-21-10-12(14)13(18-19)9-16-15(20)17-11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H2,16,17,20)
InChIKeyLZHKBCCZGXARCD-UHFFFAOYSA-N
XLogP1.62
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]urea (CID 71808522) is 1-cyclohexyl-3-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]urea is Cn1nc(CNC(=O)NC2CCCCC2)c2c1CCOC2.
What is the InChIKey of 1-cyclohexyl-3-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]urea?
The InChIKey is LZHKBCCZGXARCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-19-14-7-8-21-10-12(14)13(18-19)9-16-15(20)17-11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H2,16,17,20).
What are the key properties of 1-cyclohexyl-3-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]urea?
1-cyclohexyl-3-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]urea has a molecular weight of 292.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]urea is sourced from PubChem (CID 71808522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).