1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea

C18H20N4O3 — CID 71990409

IUPAC1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
SMILESCC(O)(CNC(=O)NCc1ccccc1-n1cccn1)c1ccco1
InChIInChI=1S/C18H20N4O3/c1-18(24,16-8-4-11-25-16)13-20-17(23)19-12-14-6-2-3-7-15(14)22-10-5-9-21-22/h2-11,24H,12-13H2,1H3,(H2,19,20,23)
InChIKeyLLCXMMGZVNTEOJ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.17
Rot. Bonds6

About 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea

1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea (PubChem CID 71990409) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
PubChem CID71990409
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
SMILESCC(O)(CNC(=O)NCc1ccccc1-n1cccn1)c1ccco1
InChIInChI=1S/C18H20N4O3/c1-18(24,16-8-4-11-25-16)13-20-17(23)19-12-14-6-2-3-7-15(14)22-10-5-9-21-22/h2-11,24H,12-13H2,1H3,(H2,19,20,23)
InChIKeyLLCXMMGZVNTEOJ-UHFFFAOYSA-N
XLogP2.17
TPSA92.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 95983775
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111505138
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 96518506
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 71869969
2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
CID 61165757
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 111479380
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
CID 95983781
2-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 62854534
1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086010
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea (CID 71990409) is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea is CC(O)(CNC(=O)NCc1ccccc1-n1cccn1)c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea?
The InChIKey is LLCXMMGZVNTEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-18(24,16-8-4-11-25-16)13-20-17(23)19-12-14-6-2-3-7-15(14)22-10-5-9-21-22/h2-11,24H,12-13H2,1H3,(H2,19,20,23).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea?
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea has a molecular weight of 340.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 71990409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).