4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride

C15H21ClN4O2 — CID 120832216

IUPAC4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1nn(-c2ccccc2)cc1OC.Cl
InChIInChI=1S/C15H20N4O2.ClH/c1-11(16-2)9-17-15(20)14-13(21-3)10-19(18-14)12-7-5-4-6-8-12;/h4-8,10-11,16H,9H2,1-3H3,(H,17,20);1H
InChIKeyFTUCHZFKKLDJEV-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.64
Rot. Bonds6

About 4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride

4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride (PubChem CID 120832216) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride
PubChem CID120832216
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1nn(-c2ccccc2)cc1OC.Cl
InChIInChI=1S/C15H20N4O2.ClH/c1-11(16-2)9-17-15(20)14-13(21-3)10-19(18-14)12-7-5-4-6-8-12;/h4-8,10-11,16H,9H2,1-3H3,(H,17,20);1H
InChIKeyFTUCHZFKKLDJEV-UHFFFAOYSA-N
XLogP1.64
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 46515773
4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 51862939
4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 94173289
5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119234819
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 51251063
4-methoxy-1-phenyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyrazole-3-carboxamide
CID 33157859
4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 39498587
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 27847993
methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate
CID 36624024
N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561064
4-methoxy-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 94025955
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 32632343

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride (CID 120832216) is 4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride is CNC(C)CNC(=O)c1nn(-c2ccccc2)cc1OC.Cl.
What is the InChIKey of 4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is FTUCHZFKKLDJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2.ClH/c1-11(16-2)9-17-15(20)14-13(21-3)10-19(18-14)12-7-5-4-6-8-12;/h4-8,10-11,16H,9H2,1-3H3,(H,17,20);1H.
What are the key properties of 4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride?
4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 324.81 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120832216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).