2,6-dichloro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;ethanamine;N-methylpropan-1-amine

C17H25Cl2N5O2 — CID 142995094

IUPAC2,6-dichloro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;ethanamine;N-methylpropan-1-amine
SMILESCCCNC.CCN.O=Cc1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H7Cl2N3O2.C4H11N.C2H7N/c12-6-2-1-3-7(13)10(6)11(18)15-8-4-14-16-9(8)5-17;1-3-4-5-2;1-2-3/h1-5H,(H,14,16)(H,15,18);5H,3-4H2,1-2H3;2-3H2,1H3
InChIKeyPBZOPDLBBRUZOD-UHFFFAOYSA-N
MW402.33 g/mol
LogP3.36
Rot. Bonds5

About 2,6-dichloro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;ethanamine;N-methylpropan-1-amine

2,6-dichloro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;ethanamine;N-methylpropan-1-amine (PubChem CID 142995094) has the molecular formula C17H25Cl2N5O2 and a molecular weight of 402.33 g/mol. Its IUPAC name is 2,6-dichloro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;ethanamine;N-methylpropan-1-amine.

Molecular Properties

Compound Name2,6-dichloro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;ethanamine;N-methylpropan-1-amine
PubChem CID142995094
Molecular FormulaC17H25Cl2N5O2
Molecular Weight402.33 g/mol
Exact Mass401.14
IUPAC Name2,6-dichloro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;ethanamine;N-methylpropan-1-amine
SMILESCCCNC.CCN.O=Cc1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H7Cl2N3O2.C4H11N.C2H7N/c12-6-2-1-3-7(13)10(6)11(18)15-8-4-14-16-9(8)5-17;1-3-4-5-2;1-2-3/h1-5H,(H,14,16)(H,15,18);5H,3-4H2,1-2H3;2-3H2,1H3
InChIKeyPBZOPDLBBRUZOD-UHFFFAOYSA-N
XLogP3.36
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.33
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-difluoro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;2-methylbutane;N-methylmethanamine;propan-1-amine
CID 143263503
2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide
CID 142995031
N-(5-formyl-1H-pyrazol-4-yl)-4-phosphanylbenzamide;1-N-methylpentane-1,3-diamine
CID 142995079
ethane;(E)-2-fluorobut-2-ene;2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide;prop-2-en-1-amine
CID 142995030
ethyl 4-[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 11719428
2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide
CID 139782357
4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166167716
2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601063
2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433751
2,6-dichloro-N-(2,5-dimethylphenyl)benzamide
CID 3534518
N-cyclohexyl-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide;2-methoxyethanol
CID 143263328
2-[4-[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidin-1-yl]acetic acid
CID 155229791

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;ethanamine;N-methylpropan-1-amine?
The IUPAC name of 2,6-dichloro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;ethanamine;N-methylpropan-1-amine (CID 142995094) is 2,6-dichloro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;ethanamine;N-methylpropan-1-amine.
What is the SMILES notation for 2,6-dichloro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;ethanamine;N-methylpropan-1-amine?
The canonical SMILES for 2,6-dichloro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;ethanamine;N-methylpropan-1-amine is CCCNC.CCN.O=Cc1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;ethanamine;N-methylpropan-1-amine?
The InChIKey is PBZOPDLBBRUZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O2.C4H11N.C2H7N/c12-6-2-1-3-7(13)10(6)11(18)15-8-4-14-16-9(8)5-17;1-3-4-5-2;1-2-3/h1-5H,(H,14,16)(H,15,18);5H,3-4H2,1-2H3;2-3H2,1H3.
What are the key properties of 2,6-dichloro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;ethanamine;N-methylpropan-1-amine?
2,6-dichloro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;ethanamine;N-methylpropan-1-amine has a molecular weight of 402.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;ethanamine;N-methylpropan-1-amine is sourced from PubChem (CID 142995094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).