1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea

C21H18N4O — CID 78871810

IUPAC1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea
SMILESO=C(NCc1cnn(-c2ccccc2)c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H18N4O/c26-21(24-19-11-10-17-6-4-5-7-18(17)12-19)22-13-16-14-23-25(15-16)20-8-2-1-3-9-20/h1-12,14-15H,13H2,(H2,22,24,26)
InChIKeyGMLLAHXTSOEICE-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.35
Rot. Bonds4

About 1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea

1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea (PubChem CID 78871810) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea
PubChem CID78871810
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea
SMILESO=C(NCc1cnn(-c2ccccc2)c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H18N4O/c26-21(24-19-11-10-17-6-4-5-7-18(17)12-19)22-13-16-14-23-25(15-16)20-8-2-1-3-9-20/h1-12,14-15H,13H2,(H2,22,24,26)
InChIKeyGMLLAHXTSOEICE-UHFFFAOYSA-N
XLogP4.35
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-phenylpyrazol-4-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 47040323
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
N-[2-fluoro-5-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]phenyl]-2-methylfuran-3-carboxamide
CID 55701855
N-[4-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55698756
1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 94029140
1-(2-cyano-4-fluorophenyl)-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 78894433
1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 110936520
1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78871809
1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea
CID 112825128
1-[2-(benzenesulfonyl)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 87038386
1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
CID 86988677
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 25496915

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea (CID 78871810) is 1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea is O=C(NCc1cnn(-c2ccccc2)c1)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The InChIKey is GMLLAHXTSOEICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c26-21(24-19-11-10-17-6-4-5-7-18(17)12-19)22-13-16-14-23-25(15-16)20-8-2-1-3-9-20/h1-12,14-15H,13H2,(H2,22,24,26).
What are the key properties of 1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea?
1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea has a molecular weight of 342.40 g/mol, XLogP of 4.35, 4 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-[(1-phenylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 78871810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).