1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-naphthalen-1-ylurea

C18H20N4O — CID 4176167

IUPAC1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-naphthalen-1-ylurea
SMILESCCn1cc(CNC(=O)Nc2cccc3ccccc23)c(C)n1
InChIInChI=1S/C18H20N4O/c1-3-22-12-15(13(2)21-22)11-19-18(23)20-17-10-6-8-14-7-4-5-9-16(14)17/h4-10,12H,3,11H2,1-2H3,(H2,19,20,23)
InChIKeyGFJPFMLLRKNPSF-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.69
Rot. Bonds4

About 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-naphthalen-1-ylurea

1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-naphthalen-1-ylurea (PubChem CID 4176167) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-naphthalen-1-ylurea
PubChem CID4176167
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-naphthalen-1-ylurea
SMILESCCn1cc(CNC(=O)Nc2cccc3ccccc23)c(C)n1
InChIInChI=1S/C18H20N4O/c1-3-22-12-15(13(2)21-22)11-19-18(23)20-17-10-6-8-14-7-4-5-9-16(14)17/h4-10,12H,3,11H2,1-2H3,(H2,19,20,23)
InChIKeyGFJPFMLLRKNPSF-UHFFFAOYSA-N
XLogP3.69
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
CID 19288572
4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide
CID 65358599
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline
CID 19626104
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 19288632
3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide
CID 19584398
2-(benzotriazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19288641
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea
CID 19589685
1-[2-(difluoromethoxy)phenyl]-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiourea
CID 19324966

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-naphthalen-1-ylurea (CID 4176167) is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-naphthalen-1-ylurea is CCn1cc(CNC(=O)Nc2cccc3ccccc23)c(C)n1.
What is the InChIKey of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-naphthalen-1-ylurea?
The InChIKey is GFJPFMLLRKNPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-3-22-12-15(13(2)21-22)11-19-18(23)20-17-10-6-8-14-7-4-5-9-16(14)17/h4-10,12H,3,11H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-naphthalen-1-ylurea?
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-naphthalen-1-ylurea has a molecular weight of 308.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 4176167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).