3-(2-methoxyphenyl)-1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride

C16H23ClN4O2 — CID 120827546

IUPAC3-(2-methoxyphenyl)-1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cn(C)nc1-c1ccccc1OC.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-11(17-2)9-18-16(21)13-10-20(3)19-15(13)12-7-5-6-8-14(12)22-4;/h5-8,10-11,17H,9H2,1-4H3,(H,18,21);1H
InChIKeyPPUJSFYHBCQDMO-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.86
Rot. Bonds6

About 3-(2-methoxyphenyl)-1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride

3-(2-methoxyphenyl)-1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride (PubChem CID 120827546) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
PubChem CID120827546
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name3-(2-methoxyphenyl)-1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cn(C)nc1-c1ccccc1OC.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-11(17-2)9-18-16(21)13-10-20(3)19-15(13)12-7-5-6-8-14(12)22-4;/h5-8,10-11,17H,9H2,1-4H3,(H,18,21);1H
InChIKeyPPUJSFYHBCQDMO-UHFFFAOYSA-N
XLogP1.86
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[2-(methylamino)propyl]benzamide
CID 103512789
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3-(2-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenylpyrazole-4-carboxamide
CID 9301390
2-chloro-6-methoxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
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N-(3-hydroxypropyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78796345
3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 25479424
3-(2-methoxyphenyl)-N-[2-(2-methylphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55954223
3-(2-methoxyphenyl)-1-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
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3-(2-methoxyphenyl)-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 31340329
3-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 8781230
4,5-dimethoxy-2-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120827462

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 3-(2-methoxyphenyl)-1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride (CID 120827546) is 3-(2-methoxyphenyl)-1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 3-(2-methoxyphenyl)-1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride is CNC(C)CNC(=O)c1cn(C)nc1-c1ccccc1OC.Cl.
What is the InChIKey of 3-(2-methoxyphenyl)-1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride?
The InChIKey is PPUJSFYHBCQDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c1-11(17-2)9-18-16(21)13-10-20(3)19-15(13)12-7-5-6-8-14(12)22-4;/h5-8,10-11,17H,9H2,1-4H3,(H,18,21);1H.
What are the key properties of 3-(2-methoxyphenyl)-1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride?
3-(2-methoxyphenyl)-1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120827546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).