1-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-3-yl)phenyl]urea

C18H17ClN4O — CID 156824810

IUPAC1-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-3-yl)phenyl]urea
SMILESCn1ccc(-c2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C18H17ClN4O/c1-23-11-10-17(22-23)14-4-8-16(9-5-14)21-18(24)20-12-13-2-6-15(19)7-3-13/h2-11H,12H2,1H3,(H2,20,21,24)
InChIKeyFUNPZSLQDIGJNS-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.06
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-3-yl)phenyl]urea

1-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-3-yl)phenyl]urea (PubChem CID 156824810) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-3-yl)phenyl]urea
PubChem CID156824810
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-3-yl)phenyl]urea
SMILESCn1ccc(-c2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C18H17ClN4O/c1-23-11-10-17(22-23)14-4-8-16(9-5-14)21-18(24)20-12-13-2-6-15(19)7-3-13/h2-11H,12H2,1H3,(H2,20,21,24)
InChIKeyFUNPZSLQDIGJNS-UHFFFAOYSA-N
XLogP4.06
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751
1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea
CID 60968991
N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911
1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride
CID 166173336
1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea
CID 61340890
1-(chloromethyl)-3-[[4-[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]phenyl]methyl]urea
CID 142009030
1-[(4-chlorophenyl)methyl]-3-[4-[(1S)-1-methylsulfanylethyl]phenyl]urea
CID 166706416
1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
CID 110446812
1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea
CID 121080343
1-[4-(5-chloro-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135223424

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-3-yl)phenyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-3-yl)phenyl]urea (CID 156824810) is 1-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-3-yl)phenyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-3-yl)phenyl]urea is Cn1ccc(-c2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-3-yl)phenyl]urea?
The InChIKey is FUNPZSLQDIGJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-23-11-10-17(22-23)14-4-8-16(9-5-14)21-18(24)20-12-13-2-6-15(19)7-3-13/h2-11H,12H2,1H3,(H2,20,21,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-3-yl)phenyl]urea?
1-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-3-yl)phenyl]urea has a molecular weight of 340.81 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-3-yl)phenyl]urea is sourced from PubChem (CID 156824810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).