5-(3-chloroanilino)-3-(2-phenylethylamino)-1H-pyrazole-4-carboxamide

C18H18ClN5O — CID 71765107

IUPAC5-(3-chloroanilino)-3-(2-phenylethylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCCc2ccccc2)n[nH]c1Nc1cccc(Cl)c1
InChIInChI=1S/C18H18ClN5O/c19-13-7-4-8-14(11-13)22-18-15(16(20)25)17(23-24-18)21-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H2,20,25)(H3,21,22,23,24)
InChIKeyIYZAUUZRQYIBDS-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.56
Rot. Bonds7

About 5-(3-chloroanilino)-3-(2-phenylethylamino)-1H-pyrazole-4-carboxamide

5-(3-chloroanilino)-3-(2-phenylethylamino)-1H-pyrazole-4-carboxamide (PubChem CID 71765107) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 5-(3-chloroanilino)-3-(2-phenylethylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-3-(2-phenylethylamino)-1H-pyrazole-4-carboxamide
PubChem CID71765107
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name5-(3-chloroanilino)-3-(2-phenylethylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCCc2ccccc2)n[nH]c1Nc1cccc(Cl)c1
InChIInChI=1S/C18H18ClN5O/c19-13-7-4-8-14(11-13)22-18-15(16(20)25)17(23-24-18)21-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H2,20,25)(H3,21,22,23,24)
InChIKeyIYZAUUZRQYIBDS-UHFFFAOYSA-N
XLogP3.56
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-((3-chloro-4-fluorophenyl)amino)-N-phenyl-1h-pyrazole-4-carboxamide
CID 164608597
5-amino-N-(3-chloro-4-fluorophenyl)-3-((3-chlorophenyl)amino)-1h-pyrazole-4-carboxamide
CID 164608622
N-(1-(3-chlorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)cinnamamide
CID 16811177
N-(1-(3-chlorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-3-phenylpropanamide
CID 16811186
N-benzyl-5-[(3-chlorophenyl)amino]-1H-1,2,3-triazole-4-carboxamide
CID 50929121
3-((3-chlorophenyl)amino)-5-((4-fluoro-2-methylbenzyl)amino)-1H-pyrazole-4-carbonitrile
CID 71765410
5-(3-chloroanilino)-3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide
CID 71765484
5-(3-chloroanilino)-3-[(2-chloro-6-fluorophenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 71765517
5-(3-chloroanilino)-3-[[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide
CID 71765518
5-amino-3-((3-chloro-4-fluorophenyl)amino)-1H-pyrazole-4-carboxamide
CID 86701885
5-(3-chloroanilino)-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide
CID 89820472
5-(3-chloroanilino)-3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide
CID 89821670

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-3-(2-phenylethylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-3-(2-phenylethylamino)-1H-pyrazole-4-carboxamide (CID 71765107) is 5-(3-chloroanilino)-3-(2-phenylethylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-3-(2-phenylethylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-3-(2-phenylethylamino)-1H-pyrazole-4-carboxamide is NC(=O)c1c(NCCc2ccccc2)n[nH]c1Nc1cccc(Cl)c1.
What is the InChIKey of 5-(3-chloroanilino)-3-(2-phenylethylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is IYZAUUZRQYIBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c19-13-7-4-8-14(11-13)22-18-15(16(20)25)17(23-24-18)21-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H2,20,25)(H3,21,22,23,24).
What are the key properties of 5-(3-chloroanilino)-3-(2-phenylethylamino)-1H-pyrazole-4-carboxamide?
5-(3-chloroanilino)-3-(2-phenylethylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.56, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-3-(2-phenylethylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71765107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).