1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

C22H20N4O — CID 78871809

IUPAC1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H20N4O/c27-22(25-20-9-8-18-4-1-2-5-19(18)16-20)23-14-12-17-6-10-21(11-7-17)26-15-3-13-24-26/h1-11,13,15-16H,12,14H2,(H2,23,25,27)
InChIKeyZTKCCPGTTRANJW-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.39
Rot. Bonds5

About 1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (PubChem CID 78871809) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
PubChem CID78871809
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H20N4O/c27-22(25-20-9-8-18-4-1-2-5-19(18)16-20)23-14-12-17-6-10-21(11-7-17)26-15-3-13-24-26/h1-11,13,15-16H,12,14H2,(H2,23,25,27)
InChIKeyZTKCCPGTTRANJW-UHFFFAOYSA-N
XLogP4.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 87003086
N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide
CID 41412655
1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 86989246
1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 47140200
1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608929
1-[2-(3-bromophenyl)ethyl]-3-naphthalen-2-ylurea
CID 108901727
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 55746297
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30101688
1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 78871810
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78879228
3-(naphthalen-2-ylcarbamoylamino)propanamide
CID 23023573
2-(2-oxo-1-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 46604095

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (CID 78871809) is 1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is O=C(NCCc1ccc(-n2cccn2)cc1)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The InChIKey is ZTKCCPGTTRANJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-22(25-20-9-8-18-4-1-2-5-19(18)16-20)23-14-12-17-6-10-21(11-7-17)26-15-3-13-24-26/h1-11,13,15-16H,12,14H2,(H2,23,25,27).
What are the key properties of 1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea has a molecular weight of 356.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 78871809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).