2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride

C16H22ClN5O4 — CID 120988056

IUPAC2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1cnn(CC(=O)Nc2ccc(OC)cc2)c1.Cl
InChIInChI=1S/C16H21N5O4.ClH/c1-24-10-14(17)16(23)20-12-7-18-21(8-12)9-15(22)19-11-3-5-13(25-2)6-4-11;/h3-8,14H,9-10,17H2,1-2H3,(H,19,22)(H,20,23);1H
InChIKeyVEEGSDMDLBWAOF-UHFFFAOYSA-N
MW383.84 g/mol
LogP0.86
Rot. Bonds8

About 2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride

2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride (PubChem CID 120988056) has the molecular formula C16H22ClN5O4 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride
PubChem CID120988056
Molecular FormulaC16H22ClN5O4
Molecular Weight383.84 g/mol
Exact Mass383.14
IUPAC Name2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1cnn(CC(=O)Nc2ccc(OC)cc2)c1.Cl
InChIInChI=1S/C16H21N5O4.ClH/c1-24-10-14(17)16(23)20-12-7-18-21(8-12)9-15(22)19-11-3-5-13(25-2)6-4-11;/h3-8,14H,9-10,17H2,1-2H3,(H,19,22)(H,20,23);1H
InChIKeyVEEGSDMDLBWAOF-UHFFFAOYSA-N
XLogP0.86
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 81082805
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N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide
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N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119309091
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 49214142
N',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide
CID 56521772
2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 120986274
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 54863171
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 49214206
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide
CID 62472501
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
CID 119309115
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]pentanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride (CID 120988056) is 2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride is COCC(N)C(=O)Nc1cnn(CC(=O)Nc2ccc(OC)cc2)c1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride?
The InChIKey is VEEGSDMDLBWAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4.ClH/c1-24-10-14(17)16(23)20-12-7-18-21(8-12)9-15(22)19-11-3-5-13(25-2)6-4-11;/h3-8,14H,9-10,17H2,1-2H3,(H,19,22)(H,20,23);1H.
What are the key properties of 2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride has a molecular weight of 383.84 g/mol, XLogP of 0.86, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride is sourced from PubChem (CID 120988056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).