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

C14H20Cl2N4O — CID 119437899

IUPACN-[2-(methylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
SMILESCNCc1ccccc1NC(=O)CCn1cccn1.Cl.Cl
InChIInChI=1S/C14H18N4O.2ClH/c1-15-11-12-5-2-3-6-13(12)17-14(19)7-10-18-9-4-8-16-18;;/h2-6,8-9,15H,7,10-11H2,1H3,(H,17,19);2*1H
InChIKeyXPNZEYMDUDMKNJ-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.47
Rot. Bonds6

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

N-[2-(methylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride (PubChem CID 119437899) has the molecular formula C14H20Cl2N4O and a molecular weight of 331.25 g/mol. Its IUPAC name is N-[2-(methylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(methylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
PubChem CID119437899
Molecular FormulaC14H20Cl2N4O
Molecular Weight331.25 g/mol
Exact Mass330.10
IUPAC NameN-[2-(methylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
SMILESCNCc1ccccc1NC(=O)CCn1cccn1.Cl.Cl
InChIInChI=1S/C14H18N4O.2ClH/c1-15-11-12-5-2-3-6-13(12)17-14(19)7-10-18-9-4-8-16-18;;/h2-6,8-9,15H,7,10-11H2,1H3,(H,17,19);2*1H
InChIKeyXPNZEYMDUDMKNJ-UHFFFAOYSA-N
XLogP2.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119439339
2-(3-pyrazol-1-ylpropanoylamino)benzoic acid
CID 28788711
N-[2-(ethylaminomethyl)phenyl]-3-(triazol-1-yl)propanamide
CID 43601378
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-pyrazol-1-ylpropanamide
CID 86979939
4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride
CID 119437962
5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid
CID 61404005
N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide
CID 43600953
N-[2-(methylaminomethyl)phenyl]-2-phenylacetamide
CID 43601028
N-(1,3-dimethylpyrazol-4-yl)-3-pyrazol-1-ylpropanamide
CID 134704539
N-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 82757585
3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride
CID 119259979
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46436600

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride?
The IUPAC name of N-[2-(methylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride (CID 119437899) is N-[2-(methylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-[2-(methylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride?
The canonical SMILES for N-[2-(methylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride is CNCc1ccccc1NC(=O)CCn1cccn1.Cl.Cl.
What is the InChIKey of N-[2-(methylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride?
The InChIKey is XPNZEYMDUDMKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.2ClH/c1-15-11-12-5-2-3-6-13(12)17-14(19)7-10-18-9-4-8-16-18;;/h2-6,8-9,15H,7,10-11H2,1H3,(H,17,19);2*1H.
What are the key properties of N-[2-(methylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride?
N-[2-(methylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride has a molecular weight of 331.25 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119437899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).