1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea

C18H18ClN5O — CID 90555219

IUPAC1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
SMILESCn1nc(CNC(=O)NCc2ccc(Cl)cc2)cc1-c1ccncc1
InChIInChI=1S/C18H18ClN5O/c1-24-17(14-6-8-20-9-7-14)10-16(23-24)12-22-18(25)21-11-13-2-4-15(19)5-3-13/h2-10H,11-12H2,1H3,(H2,21,22,25)
InChIKeyXUUIKNRPURPFMJ-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.13
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea

1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea (PubChem CID 90555219) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
PubChem CID90555219
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
SMILESCn1nc(CNC(=O)NCc2ccc(Cl)cc2)cc1-c1ccncc1
InChIInChI=1S/C18H18ClN5O/c1-24-17(14-6-8-20-9-7-14)10-16(23-24)12-22-18(25)21-11-13-2-4-15(19)5-3-13/h2-10H,11-12H2,1H3,(H2,21,22,25)
InChIKeyXUUIKNRPURPFMJ-UHFFFAOYSA-N
XLogP3.13
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 71797525
1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 71797550
5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336244
1-(chloromethyl)-3-[[4-[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]phenyl]methyl]urea
CID 142009030
1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555212
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
CID 90554937
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90555066
3-methyl-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
CID 90554943
2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90554940
1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 90555086
2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90554945
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide
CID 90555005

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea (CID 90555219) is 1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea is Cn1nc(CNC(=O)NCc2ccc(Cl)cc2)cc1-c1ccncc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea?
The InChIKey is XUUIKNRPURPFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-24-17(14-6-8-20-9-7-14)10-16(23-24)12-22-18(25)21-11-13-2-4-15(19)5-3-13/h2-10H,11-12H2,1H3,(H2,21,22,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea?
1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea has a molecular weight of 355.83 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 90555219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).