4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazol-1-ium-3-carboxamide

C16H18Cl2N5O2+ — CID 143263793

IUPAC4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazol-1-ium-3-carboxamide
SMILESO=C(NC1CCNCC1)C1=N[NH2+]C=C1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)/p+1
InChIKeyOVPNQJVDAFNBDN-UHFFFAOYSA-O
MW383.26 g/mol
LogP0.37
Rot. Bonds4

About 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazol-1-ium-3-carboxamide

4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazol-1-ium-3-carboxamide (PubChem CID 143263793) has the molecular formula C16H18Cl2N5O2+ and a molecular weight of 383.26 g/mol. Its IUPAC name is 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazol-1-ium-3-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazol-1-ium-3-carboxamide
PubChem CID143263793
Molecular FormulaC16H18Cl2N5O2+
Molecular Weight383.26 g/mol
Exact Mass382.08
IUPAC Name4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazol-1-ium-3-carboxamide
SMILESO=C(NC1CCNCC1)C1=N[NH2+]C=C1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)/p+1
InChIKeyOVPNQJVDAFNBDN-UHFFFAOYSA-O
XLogP0.37
TPSA99.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide
CID 177382788
4-[(2,6-dichlorobenzoyl)amino]-1-methylsulfonyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 171649605
2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428069
3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107098265
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
N-(4-aminocyclohexyl)-2,6-dichlorobenzamide
CID 62313124
2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387158
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233
2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388266
3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine
CID 143582754
4-[(2,6-dichlorobenzoyl)amino]-1-(dodecoxymethyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride
CID 155229814

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazol-1-ium-3-carboxamide?
The IUPAC name of 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazol-1-ium-3-carboxamide (CID 143263793) is 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazol-1-ium-3-carboxamide.
What is the SMILES notation for 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazol-1-ium-3-carboxamide?
The canonical SMILES for 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazol-1-ium-3-carboxamide is O=C(NC1CCNCC1)C1=N[NH2+]C=C1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazol-1-ium-3-carboxamide?
The InChIKey is OVPNQJVDAFNBDN-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)/p+1.
What are the key properties of 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazol-1-ium-3-carboxamide?
4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazol-1-ium-3-carboxamide has a molecular weight of 383.26 g/mol, XLogP of 0.37, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazol-1-ium-3-carboxamide is sourced from PubChem (CID 143263793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).