1-cyclopropyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea

C16H22N4O2 — CID 71922256

IUPAC1-cyclopropyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
SMILESCCc1cc(CNC(=O)N(C2CC2)C(C)c2ccco2)[nH]n1
InChIInChI=1S/C16H22N4O2/c1-3-12-9-13(19-18-12)10-17-16(21)20(14-6-7-14)11(2)15-5-4-8-22-15/h4-5,8-9,11,14H,3,6-7,10H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyLZTMOFNDYKXQLJ-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.00
Rot. Bonds6

About 1-cyclopropyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea

1-cyclopropyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea (PubChem CID 71922256) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
PubChem CID71922256
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-cyclopropyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
SMILESCCc1cc(CNC(=O)N(C2CC2)C(C)c2ccco2)[nH]n1
InChIInChI=1S/C16H22N4O2/c1-3-12-9-13(19-18-12)10-17-16(21)20(14-6-7-14)11(2)15-5-4-8-22-15/h4-5,8-9,11,14H,3,6-7,10H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyLZTMOFNDYKXQLJ-UHFFFAOYSA-N
XLogP3.00
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea (CID 71922256) is 1-cyclopropyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea is CCc1cc(CNC(=O)N(C2CC2)C(C)c2ccco2)[nH]n1.
What is the InChIKey of 1-cyclopropyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea?
The InChIKey is LZTMOFNDYKXQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-12-9-13(19-18-12)10-17-16(21)20(14-6-7-14)11(2)15-5-4-8-22-15/h4-5,8-9,11,14H,3,6-7,10H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 1-cyclopropyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea?
1-cyclopropyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea has a molecular weight of 302.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 71922256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).