N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-2-chlorobenzamide;N-(2-piperidin-1-ylethyl)formamide

C19H25BrClN5O2 — CID 142965353

IUPACN-(4-bromo-5-methyl-1H-pyrazol-3-yl)-2-chlorobenzamide;N-(2-piperidin-1-ylethyl)formamide
SMILESCc1[nH]nc(NC(=O)c2ccccc2Cl)c1Br.O=CNCCN1CCCCC1
InChIInChI=1S/C11H9BrClN3O.C8H16N2O/c1-6-9(12)10(16-15-6)14-11(17)7-4-2-3-5-8(7)13;11-8-9-4-7-10-5-2-1-3-6-10/h2-5H,1H3,(H2,14,15,16,17);8H,1-7H2,(H,9,11)
InChIKeyCDZNRJBEZIDXIQ-UHFFFAOYSA-N
MW470.80 g/mol
LogP3.60
Rot. Bonds6

About N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-2-chlorobenzamide;N-(2-piperidin-1-ylethyl)formamide

N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-2-chlorobenzamide;N-(2-piperidin-1-ylethyl)formamide (PubChem CID 142965353) has the molecular formula C19H25BrClN5O2 and a molecular weight of 470.80 g/mol. Its IUPAC name is N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-2-chlorobenzamide;N-(2-piperidin-1-ylethyl)formamide.

Molecular Properties

Compound NameN-(4-bromo-5-methyl-1H-pyrazol-3-yl)-2-chlorobenzamide;N-(2-piperidin-1-ylethyl)formamide
PubChem CID142965353
Molecular FormulaC19H25BrClN5O2
Molecular Weight470.80 g/mol
Exact Mass469.09
IUPAC NameN-(4-bromo-5-methyl-1H-pyrazol-3-yl)-2-chlorobenzamide;N-(2-piperidin-1-ylethyl)formamide
SMILESCc1[nH]nc(NC(=O)c2ccccc2Cl)c1Br.O=CNCCN1CCCCC1
InChIInChI=1S/C11H9BrClN3O.C8H16N2O/c1-6-9(12)10(16-15-6)14-11(17)7-4-2-3-5-8(7)13;11-8-9-4-7-10-5-2-1-3-6-10/h2-5H,1H3,(H2,14,15,16,17);8H,1-7H2,(H,9,11)
InChIKeyCDZNRJBEZIDXIQ-UHFFFAOYSA-N
XLogP3.60
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.80
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-[(2-chlorobenzoyl)amino]-N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 91298386
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 59773614
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(1-methylpiperidin-4-yl)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 59773493
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
[4-bromo-5-[(2-chlorobenzoyl)amino]-1H-pyrazol-3-yl] N-(3-morpholin-4-ylpropyl)carbamate
CID 69152448
N-benzyl-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 11339494
4-bromo-3-[(2-chlorobenzoyl)amino]-N-(1-hydroxy-3-methylbutan-2-yl)-1H-pyrazole-5-carboxamide
CID 11293323
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-[cyclopropyl(methyl)amino]propan-2-yl]-1H-pyrazole-5-carboxamide
CID 11385508
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 59773566
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-1H-pyrazole-5-carboxamide
CID 91420104
3-[(2-chlorobenzoyl)amino]-4-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 11313245
4-bromo-3-[(2-chlorobenzoyl)amino]-N-isoquinolin-1-yl-1H-pyrazole-5-carboxamide
CID 11328902

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-2-chlorobenzamide;N-(2-piperidin-1-ylethyl)formamide?
The IUPAC name of N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-2-chlorobenzamide;N-(2-piperidin-1-ylethyl)formamide (CID 142965353) is N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-2-chlorobenzamide;N-(2-piperidin-1-ylethyl)formamide.
What is the SMILES notation for N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-2-chlorobenzamide;N-(2-piperidin-1-ylethyl)formamide?
The canonical SMILES for N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-2-chlorobenzamide;N-(2-piperidin-1-ylethyl)formamide is Cc1[nH]nc(NC(=O)c2ccccc2Cl)c1Br.O=CNCCN1CCCCC1.
What is the InChIKey of N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-2-chlorobenzamide;N-(2-piperidin-1-ylethyl)formamide?
The InChIKey is CDZNRJBEZIDXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O.C8H16N2O/c1-6-9(12)10(16-15-6)14-11(17)7-4-2-3-5-8(7)13;11-8-9-4-7-10-5-2-1-3-6-10/h2-5H,1H3,(H2,14,15,16,17);8H,1-7H2,(H,9,11).
What are the key properties of N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-2-chlorobenzamide;N-(2-piperidin-1-ylethyl)formamide?
N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-2-chlorobenzamide;N-(2-piperidin-1-ylethyl)formamide has a molecular weight of 470.80 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-2-chlorobenzamide;N-(2-piperidin-1-ylethyl)formamide is sourced from PubChem (CID 142965353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).