3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide

C12H12Cl2N4O — CID 64523095

IUPAC3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C12H12Cl2N4O/c1-18(12(19)10-5-11(15)17-16-10)6-7-2-8(13)4-9(14)3-7/h2-5H,6H2,1H3,(H3,15,16,17)
InChIKeyJODUGKLUADSAED-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.57
Rot. Bonds3

About 3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide

3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 64523095) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID64523095
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C12H12Cl2N4O/c1-18(12(19)10-5-11(15)17-16-10)6-7-2-8(13)4-9(14)3-7/h2-5H,6H2,1H3,(H3,15,16,17)
InChIKeyJODUGKLUADSAED-UHFFFAOYSA-N
XLogP2.57
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide (CID 64523095) is 3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide is CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is JODUGKLUADSAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-18(12(19)10-5-11(15)17-16-10)6-7-2-8(13)4-9(14)3-7/h2-5H,6H2,1H3,(H3,15,16,17).
What are the key properties of 3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 299.16 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64523095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).