N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide

C11H10Cl2N4O — CID 79530307

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide
SMILESNc1[nH]ncc1CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N4O/c12-8-2-1-6(3-9(8)13)11(18)15-4-7-5-16-17-10(7)14/h1-3,5H,4H2,(H,15,18)(H3,14,16,17)
InChIKeyRXKAFZZUGXOGHW-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.23
Rot. Bonds3

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide (PubChem CID 79530307) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide
PubChem CID79530307
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide
SMILESNc1[nH]ncc1CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N4O/c12-8-2-1-6(3-9(8)13)11(18)15-4-7-5-16-17-10(7)14/h1-3,5H,4H2,(H,15,18)(H3,14,16,17)
InChIKeyRXKAFZZUGXOGHW-UHFFFAOYSA-N
XLogP2.23
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide
CID 79530127
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide
CID 79529688
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide
CID 114022797
N-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide
CID 79529850
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 79530883
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide
CID 79531317
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorofuran-3-carboxamide
CID 106688560
3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 81421879
N-[(4-carbamothioylphenyl)methyl]-3,4-dichlorobenzamide
CID 62311218
N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 79531339
N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 79531188
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-methyl-4-nitrobenzamide
CID 79530745

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide (CID 79530307) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide is Nc1[nH]ncc1CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide?
The InChIKey is RXKAFZZUGXOGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c12-8-2-1-6(3-9(8)13)11(18)15-4-7-5-16-17-10(7)14/h1-3,5H,4H2,(H,15,18)(H3,14,16,17).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide has a molecular weight of 285.13 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 79530307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).