1-(2-chloro-5-methyl-4-pyridinyl)-3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]urea

C18H18ClN5O — CID 167888249

IUPAC1-(2-chloro-5-methyl-4-pyridinyl)-3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]urea
SMILESCc1cnc(Cl)cc1NC(=O)Nc1cc(CCc2ccccc2)[nH]n1
InChIInChI=1S/C18H18ClN5O/c1-12-11-20-16(19)10-15(12)21-18(25)22-17-9-14(23-24-17)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H3,20,21,22,23,24,25)
InChIKeyRLHTUTIUAHOYDJ-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.20
Rot. Bonds5

About 1-(2-chloro-5-methyl-4-pyridinyl)-3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]urea

1-(2-chloro-5-methyl-4-pyridinyl)-3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]urea (PubChem CID 167888249) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 1-(2-chloro-5-methyl-4-pyridinyl)-3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-chloro-5-methyl-4-pyridinyl)-3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]urea
PubChem CID167888249
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name1-(2-chloro-5-methyl-4-pyridinyl)-3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]urea
SMILESCc1cnc(Cl)cc1NC(=O)Nc1cc(CCc2ccccc2)[nH]n1
InChIInChI=1S/C18H18ClN5O/c1-12-11-20-16(19)10-15(12)21-18(25)22-17-9-14(23-24-17)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H3,20,21,22,23,24,25)
InChIKeyRLHTUTIUAHOYDJ-UHFFFAOYSA-N
XLogP4.20
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-3-(3-propan-2-yloxy-4-pyridinyl)urea
CID 166349253
1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylurea
CID 3699828
1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]urea
CID 154754514
2-(2-phenylethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115621083
1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 104620440
4-[[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 155952452
(2R)-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 95635352
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 95755349
2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115619750
1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea
CID 35591898
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide
CID 48507728
1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620412

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methyl-4-pyridinyl)-3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]urea?
The IUPAC name of 1-(2-chloro-5-methyl-4-pyridinyl)-3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]urea (CID 167888249) is 1-(2-chloro-5-methyl-4-pyridinyl)-3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-chloro-5-methyl-4-pyridinyl)-3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-chloro-5-methyl-4-pyridinyl)-3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]urea is Cc1cnc(Cl)cc1NC(=O)Nc1cc(CCc2ccccc2)[nH]n1.
What is the InChIKey of 1-(2-chloro-5-methyl-4-pyridinyl)-3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]urea?
The InChIKey is RLHTUTIUAHOYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-12-11-20-16(19)10-15(12)21-18(25)22-17-9-14(23-24-17)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H3,20,21,22,23,24,25).
What are the key properties of 1-(2-chloro-5-methyl-4-pyridinyl)-3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]urea?
1-(2-chloro-5-methyl-4-pyridinyl)-3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]urea has a molecular weight of 355.83 g/mol, XLogP of 4.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methyl-4-pyridinyl)-3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]urea is sourced from PubChem (CID 167888249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).