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

C18H17ClN4O — CID 47062469

IUPAC1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1cccc(Cn2cccn2)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O/c19-16-5-7-17(8-6-16)22-18(24)20-12-14-3-1-4-15(11-14)13-23-10-2-9-21-23/h1-11H,12-13H2,(H2,20,22,24)
InChIKeyCDEZVCZSPBAQGX-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.91
Rot. Bonds5

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

1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea (PubChem CID 47062469) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
PubChem CID47062469
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1cccc(Cn2cccn2)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O/c19-16-5-7-17(8-6-16)22-18(24)20-12-14-3-1-4-15(11-14)13-23-10-2-9-21-23/h1-11H,12-13H2,(H2,20,22,24)
InChIKeyCDEZVCZSPBAQGX-UHFFFAOYSA-N
XLogP3.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 52711976
1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 87035704
1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 112824919
1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86837888
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 51102569
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119744676
N-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide
CID 55629793
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55955040
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301019
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 87037090
1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 51290797

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea (CID 47062469) is 1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea is O=C(NCc1cccc(Cn2cccn2)c1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is CDEZVCZSPBAQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-16-5-7-17(8-6-16)22-18(24)20-12-14-3-1-4-15(11-14)13-23-10-2-9-21-23/h1-11H,12-13H2,(H2,20,22,24).
What are the key properties of 1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 340.81 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 47062469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).