N-(3-aminopropyl)-3-bromo-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide

C15H19BrN4O — CID 91645367

IUPACN-(3-aminopropyl)-3-bromo-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(Br)cc2C(=O)N(C)CCCN)cc1
InChIInChI=1S/C15H19BrN4O/c1-11-4-6-12(7-5-11)20-13(10-14(16)18-20)15(21)19(2)9-3-8-17/h4-7,10H,3,8-9,17H2,1-2H3
InChIKeyKCSQDEFTJNTECV-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.36
Rot. Bonds5

About N-(3-aminopropyl)-3-bromo-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide

N-(3-aminopropyl)-3-bromo-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide (PubChem CID 91645367) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-bromo-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-bromo-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide
PubChem CID91645367
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC NameN-(3-aminopropyl)-3-bromo-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(Br)cc2C(=O)N(C)CCCN)cc1
InChIInChI=1S/C15H19BrN4O/c1-11-4-6-12(7-5-11)20-13(10-14(16)18-20)15(21)19(2)9-3-8-17/h4-7,10H,3,8-9,17H2,1-2H3
InChIKeyKCSQDEFTJNTECV-UHFFFAOYSA-N
XLogP2.36
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-bromo-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-(3-aminopropyl)-3-bromo-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide (CID 91645367) is N-(3-aminopropyl)-3-bromo-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-3-bromo-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-3-bromo-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide is Cc1ccc(-n2nc(Br)cc2C(=O)N(C)CCCN)cc1.
What is the InChIKey of N-(3-aminopropyl)-3-bromo-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is KCSQDEFTJNTECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-11-4-6-12(7-5-11)20-13(10-14(16)18-20)15(21)19(2)9-3-8-17/h4-7,10H,3,8-9,17H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-3-bromo-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide?
N-(3-aminopropyl)-3-bromo-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 351.25 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-bromo-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 91645367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).