1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide

C15H20N4O — CID 115995461

IUPAC1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCCC(N)c1ccccc1-n1ccc(C(=O)N(C)C)n1
InChIInChI=1S/C15H20N4O/c1-4-12(16)11-7-5-6-8-14(11)19-10-9-13(17-19)15(20)18(2)3/h5-10,12H,4,16H2,1-3H3
InChIKeyGBZBRTZMCURAHD-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.98
Rot. Bonds4

About 1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide

1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 115995461) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
PubChem CID115995461
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCCC(N)c1ccccc1-n1ccc(C(=O)N(C)C)n1
InChIInChI=1S/C15H20N4O/c1-4-12(16)11-7-5-6-8-14(11)19-10-9-13(17-19)15(20)18(2)3/h5-10,12H,4,16H2,1-3H3
InChIKeyGBZBRTZMCURAHD-UHFFFAOYSA-N
XLogP1.98
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide (CID 115995461) is 1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide is CCC(N)c1ccccc1-n1ccc(C(=O)N(C)C)n1.
What is the InChIKey of 1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is GBZBRTZMCURAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-12(16)11-7-5-6-8-14(11)19-10-9-13(17-19)15(20)18(2)3/h5-10,12H,4,16H2,1-3H3.
What are the key properties of 1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide?
1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 115995461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).