N-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride

C15H22Cl2N4O — CID 119439339

IUPACN-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
SMILESCCNCc1ccccc1NC(=O)CCn1cccn1.Cl.Cl
InChIInChI=1S/C15H20N4O.2ClH/c1-2-16-12-13-6-3-4-7-14(13)18-15(20)8-11-19-10-5-9-17-19;;/h3-7,9-10,16H,2,8,11-12H2,1H3,(H,18,20);2*1H
InChIKeyODCRLVGQVADNMU-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.87
Rot. Bonds7

About N-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride

N-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride (PubChem CID 119439339) has the molecular formula C15H22Cl2N4O and a molecular weight of 345.27 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
PubChem CID119439339
Molecular FormulaC15H22Cl2N4O
Molecular Weight345.27 g/mol
Exact Mass344.12
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
SMILESCCNCc1ccccc1NC(=O)CCn1cccn1.Cl.Cl
InChIInChI=1S/C15H20N4O.2ClH/c1-2-16-12-13-6-3-4-7-14(13)18-15(20)8-11-19-10-5-9-17-19;;/h3-7,9-10,16H,2,8,11-12H2,1H3,(H,18,20);2*1H
InChIKeyODCRLVGQVADNMU-UHFFFAOYSA-N
XLogP2.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119437899
N-[2-(ethylaminomethyl)phenyl]-3-(triazol-1-yl)propanamide
CID 43601378
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
2-(3-pyrazol-1-ylpropanoylamino)benzoic acid
CID 28788711
N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide
CID 114028604
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-pyrazol-1-ylpropanamide
CID 86979939
N-[2-(ethylaminomethyl)phenyl]nonanamide
CID 65425982
N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119438834
N-[2-(ethylaminomethyl)phenyl]pent-4-enamide
CID 62678727
N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 119440695
N'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride
CID 119440586
N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide
CID 119440882

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride (CID 119439339) is N-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride is CCNCc1ccccc1NC(=O)CCn1cccn1.Cl.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride?
The InChIKey is ODCRLVGQVADNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.2ClH/c1-2-16-12-13-6-3-4-7-14(13)18-15(20)8-11-19-10-5-9-17-19;;/h3-7,9-10,16H,2,8,11-12H2,1H3,(H,18,20);2*1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride?
N-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride has a molecular weight of 345.27 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119439339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).