1-(2,6-dichloro-4-nitrophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride

C14H16Cl3N5O3 — CID 120826708

IUPAC1-(2,6-dichloro-4-nitrophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1.Cl
InChIInChI=1S/C14H15Cl2N5O3.ClH/c1-8(17-2)7-18-14(22)12-3-4-20(19-12)13-10(15)5-9(21(23)24)6-11(13)16;/h3-6,8,17H,7H2,1-2H3,(H,18,22);1H
InChIKeyDEDLJNBKZLBKQB-UHFFFAOYSA-N
MW408.67 g/mol
LogP2.85
Rot. Bonds6

About 1-(2,6-dichloro-4-nitrophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride

1-(2,6-dichloro-4-nitrophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride (PubChem CID 120826708) has the molecular formula C14H16Cl3N5O3 and a molecular weight of 408.67 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-nitrophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,6-dichloro-4-nitrophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
PubChem CID120826708
Molecular FormulaC14H16Cl3N5O3
Molecular Weight408.67 g/mol
Exact Mass407.03
IUPAC Name1-(2,6-dichloro-4-nitrophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1.Cl
InChIInChI=1S/C14H15Cl2N5O3.ClH/c1-8(17-2)7-18-14(22)12-3-4-20(19-12)13-10(15)5-9(21(23)24)6-11(13)16;/h3-6,8,17H,7H2,1-2H3,(H,18,22);1H
InChIKeyDEDLJNBKZLBKQB-UHFFFAOYSA-N
XLogP2.85
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.67
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(2,6-dichloro-4-nitrophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride 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-(2,6-dichloro-4-nitrophenyl)-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-carboxamide
CID 120650047
N-(3-aminobutyl)-1-(2,6-dichloro-4-nitrophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119496642
N-[2-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide
CID 120827751
1-(2,6-dichloro-4-nitrophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
CID 119431265
N-(2-hydroxypropyl)-1-(4-nitrophenyl)pyrazole-3-carboxamide
CID 43501192
1-(2,6-dichloro-4-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119451296
N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 120831813
1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide
CID 120827733
N-[2-(methylamino)propyl]-1-(3-nitrophenyl)triazole-4-carboxamide
CID 120826695
1-(2,6-dichloro-4-nitrophenyl)-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide
CID 120573386
N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
CID 120829926
1,4-diazepan-1-yl-[1-(2,6-dichloro-4-nitrophenyl)pyrazol-3-yl]methanone
CID 119415865

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-nitrophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2,6-dichloro-4-nitrophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride (CID 120826708) is 1-(2,6-dichloro-4-nitrophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,6-dichloro-4-nitrophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,6-dichloro-4-nitrophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride is CNC(C)CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1.Cl.
What is the InChIKey of 1-(2,6-dichloro-4-nitrophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is DEDLJNBKZLBKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N5O3.ClH/c1-8(17-2)7-18-14(22)12-3-4-20(19-12)13-10(15)5-9(21(23)24)6-11(13)16;/h3-6,8,17H,7H2,1-2H3,(H,18,22);1H.
What are the key properties of 1-(2,6-dichloro-4-nitrophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride?
1-(2,6-dichloro-4-nitrophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 408.67 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-nitrophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120826708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).