N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide

C15H20N4O — CID 107365593

IUPACN-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N(CCCN)Cc2ccccc2)n1
InChIInChI=1S/C15H20N4O/c1-18-11-8-14(17-18)15(20)19(10-5-9-16)12-13-6-3-2-4-7-13/h2-4,6-8,11H,5,9-10,12,16H2,1H3
InChIKeyDDEJEJWZTZFZDL-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.41
Rot. Bonds6

About N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide

N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide (PubChem CID 107365593) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide
PubChem CID107365593
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N(CCCN)Cc2ccccc2)n1
InChIInChI=1S/C15H20N4O/c1-18-11-8-14(17-18)15(20)19(10-5-9-16)12-13-6-3-2-4-7-13/h2-4,6-8,11H,5,9-10,12,16H2,1H3
InChIKeyDDEJEJWZTZFZDL-UHFFFAOYSA-N
XLogP1.41
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 120648799
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide
CID 120649709
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride
CID 120649613
N-(3-aminopropyl)-N-benzyl-5-tert-butyl-1H-pyrazole-3-carboxamide
CID 120648409
N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide
CID 103915328
N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-3-carboxamide
CID 103115758
N-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120648433
N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide
CID 107365756
N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide
CID 107366166

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide (CID 107365593) is N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)N(CCCN)Cc2ccccc2)n1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide?
The InChIKey is DDEJEJWZTZFZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18-11-8-14(17-18)15(20)19(10-5-9-16)12-13-6-3-2-4-7-13/h2-4,6-8,11H,5,9-10,12,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide?
N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 107365593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).