1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea

C21H24N4O — CID 112824919

IUPAC1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESCCCc1ccc(NC(=O)NCc2ccc(Cn3cccn3)cc2)cc1
InChIInChI=1S/C21H24N4O/c1-2-4-17-9-11-20(12-10-17)24-21(26)22-15-18-5-7-19(8-6-18)16-25-14-3-13-23-25/h3,5-14H,2,4,15-16H2,1H3,(H2,22,24,26)
InChIKeyTVMVYYNBCLCNGI-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.21
Rot. Bonds7

About 1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea

1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea (PubChem CID 112824919) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
PubChem CID112824919
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESCCCc1ccc(NC(=O)NCc2ccc(Cn3cccn3)cc2)cc1
InChIInChI=1S/C21H24N4O/c1-2-4-17-9-11-20(12-10-17)24-21(26)22-15-18-5-7-19(8-6-18)16-25-14-3-13-23-25/h3,5-14H,2,4,15-16H2,1H3,(H2,22,24,26)
InChIKeyTVMVYYNBCLCNGI-UHFFFAOYSA-N
XLogP4.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamoylamino]acetamide
CID 60591643
1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 47062469
1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55695718
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
1-(5-hydroxy-4,4-dimethylpentyl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 111474317
2-methylsulfanyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 47125027
1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 111424876
1-(2-phenoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55695482
5-(phenylcarbamoylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 112815001
1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55743504
1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119715469

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea (CID 112824919) is 1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea is CCCc1ccc(NC(=O)NCc2ccc(Cn3cccn3)cc2)cc1.
What is the InChIKey of 1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is TVMVYYNBCLCNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-2-4-17-9-11-20(12-10-17)24-21(26)22-15-18-5-7-19(8-6-18)16-25-14-3-13-23-25/h3,5-14H,2,4,15-16H2,1H3,(H2,22,24,26).
What are the key properties of 1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 348.45 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 112824919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).