N,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide

C15H21N5O — CID 80636555

IUPACN,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCCCNCc1ccc(-n2ccc(C(=O)N(C)C)n2)nc1
InChIInChI=1S/C15H21N5O/c1-4-8-16-10-12-5-6-14(17-11-12)20-9-7-13(18-20)15(21)19(2)3/h5-7,9,11,16H,4,8,10H2,1-3H3
InChIKeyCPJMLJUNZZNFLM-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.47
Rot. Bonds6

About N,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide

N,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide (PubChem CID 80636555) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide
PubChem CID80636555
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCCCNCc1ccc(-n2ccc(C(=O)N(C)C)n2)nc1
InChIInChI=1S/C15H21N5O/c1-4-8-16-10-12-5-6-14(17-11-12)20-9-7-13(18-20)15(21)19(2)3/h5-7,9,11,16H,4,8,10H2,1-3H3
InChIKeyCPJMLJUNZZNFLM-UHFFFAOYSA-N
XLogP1.47
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrazole-3-carboxamide
CID 64780414
1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide
CID 80636556
1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64782126
N-[[6-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55059708
N-ethyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630604
1-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 114870573
6-[3-(dimethylcarbamoyl)pyrazol-1-yl]pyridazine-3-carboxylic acid
CID 64781715
N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630091
N-(2-methoxyethyl)-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80632056
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55054608
1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 79827052
1-[2,6-difluoro-4-(propylaminomethyl)phenyl]pyrazole-3-carboxamide
CID 64780213

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide (CID 80636555) is N,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide is CCCNCc1ccc(-n2ccc(C(=O)N(C)C)n2)nc1.
What is the InChIKey of N,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is CPJMLJUNZZNFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-8-16-10-12-5-6-14(17-11-12)20-9-7-13(18-20)15(21)19(2)3/h5-7,9,11,16H,4,8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide?
N,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 80636555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).