4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride

C14H19ClN4O2 — CID 120587813

IUPAC4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-20-13(10-15)9-14(19)17-11-3-5-12(6-4-11)18-8-2-7-16-18;/h2-8,13H,9-10,15H2,1H3,(H,17,19);1H
InChIKeyDWURVCVNNSEQSR-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.60
Rot. Bonds6

About 4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride

4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride (PubChem CID 120587813) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride
PubChem CID120587813
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-20-13(10-15)9-14(19)17-11-3-5-12(6-4-11)18-8-2-7-16-18;/h2-8,13H,9-10,15H2,1H3,(H,17,19);1H
InChIKeyDWURVCVNNSEQSR-UHFFFAOYSA-N
XLogP1.60
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 120589330
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CID 120593675
4-amino-3-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 103154657
4-amino-3-methoxy-N-(2-pyrazol-1-ylphenyl)butanamide;hydrochloride
CID 120586313
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4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
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CID 103154914
7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide
CID 43704126
5-amino-N-(4-pyrazol-1-ylphenyl)hexanamide
CID 82848976
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 120587425
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CID 119768018

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride (CID 120587813) is 4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride is COC(CN)CC(=O)Nc1ccc(-n2cccn2)cc1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride?
The InChIKey is DWURVCVNNSEQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2.ClH/c1-20-13(10-15)9-14(19)17-11-3-5-12(6-4-11)18-8-2-7-16-18;/h2-8,13H,9-10,15H2,1H3,(H,17,19);1H.
What are the key properties of 4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride?
4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 120587813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).