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

C23H22N4O — CID 17488706

IUPAC1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H22N4O/c1-26(15-19-14-24-27(17-19)16-18-8-3-2-4-9-18)23(28)25-22-13-7-11-20-10-5-6-12-21(20)22/h2-14,17H,15-16H2,1H3,(H,25,28)
InChIKeyONFOBQKPQGBKMD-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.75
Rot. Bonds5

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

1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea (PubChem CID 17488706) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea
PubChem CID17488706
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H22N4O/c1-26(15-19-14-24-27(17-19)16-18-8-3-2-4-9-18)23(28)25-22-13-7-11-20-10-5-6-12-21(20)22/h2-14,17H,15-16H2,1H3,(H,25,28)
InChIKeyONFOBQKPQGBKMD-UHFFFAOYSA-N
XLogP4.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 47041007
1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 24528551
1-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-4-yl)urea
CID 154841350
3-[(1-benzylpyrazol-4-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-methylurea
CID 87007525
1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea
CID 17467272
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 166427424
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 9406480
(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide
CID 51925794
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674
3-(1-benzylpyrazol-4-yl)-2-cyano-N-naphthalen-1-yl-3-oxopropanamide
CID 87012012
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
CID 17266709

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea?
The IUPAC name of 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea (CID 17488706) is 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea is CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea?
The InChIKey is ONFOBQKPQGBKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-26(15-19-14-24-27(17-19)16-18-8-3-2-4-9-18)23(28)25-22-13-7-11-20-10-5-6-12-21(20)22/h2-14,17H,15-16H2,1H3,(H,25,28).
What are the key properties of 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea?
1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea has a molecular weight of 370.46 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea is sourced from PubChem (CID 17488706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).