1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide

C15H18Cl2N4O — CID 167952862

IUPAC1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide
SMILESCCNCCCNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H18Cl2N4O/c1-2-18-6-3-7-19-15(22)11-9-20-21(10-11)14-5-4-12(16)8-13(14)17/h4-5,8-10,18H,2-3,6-7H2,1H3,(H,19,22)
InChIKeyPPMGFJIXBKNKQQ-UHFFFAOYSA-N
MW341.24 g/mol
LogP2.91
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide

1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide (PubChem CID 167952862) has the molecular formula C15H18Cl2N4O and a molecular weight of 341.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide
PubChem CID167952862
Molecular FormulaC15H18Cl2N4O
Molecular Weight341.24 g/mol
Exact Mass340.09
IUPAC Name1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide
SMILESCCNCCCNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H18Cl2N4O/c1-2-18-6-3-7-19-15(22)11-9-20-21(10-11)14-5-4-12(16)8-13(14)17/h4-5,8-10,18H,2-3,6-7H2,1H3,(H,19,22)
InChIKeyPPMGFJIXBKNKQQ-UHFFFAOYSA-N
XLogP2.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 119234355
N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 119630624
2-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-N-ethylethanamine
CID 112754935
N-[[1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]ethanamine
CID 61272499
1-(2,4-dichlorophenyl)-N-[4-[(S)-methylsulfinyl]phenyl]pyrazole-4-carboxamide
CID 99817151
1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
CID 120947316
1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119559418
1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide
CID 68934305
1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119514691
1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-N-methylpyrazole-4-carboxamide
CID 110903813
N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide
CID 56819330
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119608974

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide (CID 167952862) is 1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide is CCNCCCNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide?
The InChIKey is PPMGFJIXBKNKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O/c1-2-18-6-3-7-19-15(22)11-9-20-21(10-11)14-5-4-12(16)8-13(14)17/h4-5,8-10,18H,2-3,6-7H2,1H3,(H,19,22).
What are the key properties of 1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide?
1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide has a molecular weight of 341.24 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 167952862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).